1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide

C123H105ClF29N7O8 — CID 158020952

About 1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide

1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide (PubChem CID 158020952) has the molecular formula C123H105ClF29N7O8 and a molecular weight of 2395.63 g/mol. Its IUPAC name is 1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide.

Molecular Properties

• Compound Name: 1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide
• PubChem CID: 158020952
• Molecular Formula: C123H105ClF29N7O8
• Molecular Weight: 2395.63 g/mol
• Exact Mass: 2393.73
• IUPAC Name: 1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide
• SMILES: CC(F)(F)CNC(=O)CC(NC(=O)NC1CCCC1)(c1cccc(CC(F)(F)F)c1)c1cccc(CC(F)(F)F)c1.CCC(Oc1ccccc1)C(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.O=C(NC(Cc1ccc(-c2ccccc2)cc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)c1ccc(F)c(C(F)(F)F)c1.O=C(NC1CCCC1)NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cc1Cl
• InChI: InChI=1S/C36H23F10NO3.C32H27F6NO2.C28H31F8N3O2.C27H24ClF5N2O/c37-31-17-16-25(18-30(31)34(38,39)40)32(48)47-33(26-8-4-10-28(19-26)49-35(41,42)43,27-9-5-11-29(20-27)50-36(44,45)46)21-22-12-14-24(15-13-22)23-6-2-1-3-7-23;1-2-28(41-27-17-7-4-8-18-27)29(40)39-30(21-22-11-5-3-6-12-22,23-13-9-15-25(19-23)31(33,34)35)24-14-10-16-26(20-24)32(36,37)38;1-25(29,30)17-37-23(40)16-26(39-24(41)38-22-10-2-3-11-22,20-8-4-6-18(12-20)14-27(31,32)33)21-9-5-7-19(13-21)15-28(34,35)36;28-24-15-20(29)10-11-23(24)26(16-17-6-2-1-3-7-17,35-25(36)34-22-8-4-5-9-22)18-12-19(27(31,32)33)14-21(30)13-18/h1-20H,21H2,(H,47,48);3-20,28H,2,21H2,1H3,(H,39,40);4-9,12-13,22H,2-3,10-11,14-17H2,1H3,(H,37,40)(H2,38,39,41);1-3,6-7,10-15,22H,4-5,8-9,16H2,(H2,34,35,36)
• InChIKey: FGBBCTNKNXBVDQ-UHFFFAOYSA-N
• XLogP: 32.32
• TPSA: 197.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 34
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2395.63
LogP ≤ 5	32.32
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide?

The IUPAC name of 1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide (CID 158020952) is 1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide.

What is the SMILES notation for 1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide?

The canonical SMILES for 1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide is CC(F)(F)CNC(=O)CC(NC(=O)NC1CCCC1)(c1cccc(CC(F)(F)F)c1)c1cccc(CC(F)(F)F)c1.CCC(Oc1ccccc1)C(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.O=C(NC(Cc1ccc(-c2ccccc2)cc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)c1ccc(F)c(C(F)(F)F)c1.O=C(NC1CCCC1)NC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cc1Cl.

What is the InChIKey of 1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide?

The InChIKey is FGBBCTNKNXBVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23F10NO3.C32H27F6NO2.C28H31F8N3O2.C27H24ClF5N2O/c37-31-17-16-25(18-30(31)34(38,39)40)32(48)47-33(26-8-4-10-28(19-26)49-35(41,42)43,27-9-5-11-29(20-27)50-36(44,45)46)21-22-12-14-24(15-13-22)23-6-2-1-3-7-23;1-2-28(41-27-17-7-4-8-18-27)29(40)39-30(21-22-11-5-3-6-12-22,23-13-9-15-25(19-23)31(33,34)35)24-14-10-16-26(20-24)32(36,37)38;1-25(29,30)17-37-23(40)16-26(39-24(41)38-22-10-2-3-11-22,20-8-4-6-18(12-20)14-27(31,32)33)21-9-5-7-19(13-21)15-28(34,35)36;28-24-15-20(29)10-11-23(24)26(16-17-6-2-1-3-7-17,35-25(36)34-22-8-4-5-9-22)18-12-19(27(31,32)33)14-21(30)13-18/h1-20H,21H2,(H,47,48);3-20,28H,2,21H2,1H3,(H,39,40);4-9,12-13,22H,2-3,10-11,14-17H2,1H3,(H,37,40)(H2,38,39,41);1-3,6-7,10-15,22H,4-5,8-9,16H2,(H2,34,35,36).

What are the key properties of 1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide?

1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide has a molecular weight of 2395.63 g/mol, XLogP of 32.32, 34 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2-chloro-4-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclopentylurea;3-(cyclopentylcarbamoylamino)-N-(2,2-difluoropropyl)-3,3-bis[3-(2,2,2-trifluoroethyl)phenyl]propanamide;4-fluoro-N-[2-(4-phenylphenyl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide;2-phenoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 158020952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).