[4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid

C48H46Cl2F6N8O7 — CID 161427357

About [4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid

[4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 161427357) has the molecular formula C48H46Cl2F6N8O7 and a molecular weight of 1031.84 g/mol. Its IUPAC name is [4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: [4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 161427357
• Molecular Formula: C48H46Cl2F6N8O7
• Molecular Weight: 1031.84 g/mol
• Exact Mass: 1030.28
• IUPAC Name: [4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)cc3cccnc32)C1.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)O)cc3cccnc32)C1.NCc1ccc(Cl)c(C(F)(F)F)c1
• InChI: InChI=1S/C24H22ClF3N4O3.C16H17N3O4.C8H7ClF3N/c1-23(2)12-31(13-23)19(33)11-32-20-15(4-3-7-29-20)9-16(22(32)35)21(34)30-10-14-5-6-18(25)17(8-14)24(26,27)28;1-16(2)8-18(9-16)12(20)7-19-13-10(4-3-5-17-13)6-11(14(19)21)15(22)23;9-7-2-1-5(4-13)3-6(7)8(10,11)12/h3-9H,10-13H2,1-2H3,(H,30,34);3-6H,7-9H2,1-2H3,(H,22,23);1-3H,4,13H2
• InChIKey: VXNRJRFWIMOZBS-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 202.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1031.84
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of [4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid (CID 161427357) is [4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for [4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for [4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid is CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)cc3cccnc32)C1.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)O)cc3cccnc32)C1.NCc1ccc(Cl)c(C(F)(F)F)c1.

What is the InChIKey of [4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is VXNRJRFWIMOZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N4O3.C16H17N3O4.C8H7ClF3N/c1-23(2)12-31(13-23)19(33)11-32-20-15(4-3-7-29-20)9-16(22(32)35)21(34)30-10-14-5-6-18(25)17(8-14)24(26,27)28;1-16(2)8-18(9-16)12(20)7-19-13-10(4-3-5-17-13)6-11(14(19)21)15(22)23;9-7-2-1-5(4-13)3-6(7)8(10,11)12/h3-9H,10-13H2,1-2H3,(H,30,34);3-6H,7-9H2,1-2H3,(H,22,23);1-3H,4,13H2.

What are the key properties of [4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid?

[4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 1031.84 g/mol, XLogP of 7.65, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-3-(trifluoromethyl)phenyl]methanamine;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 161427357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).