N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide

C24H21F4N3O3 — CID 42724470

IUPACN-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)N(CCNC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H21F4N3O3/c1-34-21-11-5-16(6-12-21)22(32)31(20-9-7-18(25)8-10-20)14-13-29-23(33)30-19-4-2-3-17(15-19)24(26,27)28/h2-12,15H,13-14H2,1H3,(H2,29,30,33)
InChIKeyZTAJDLDYMGFCJG-UHFFFAOYSA-N
MW475.44 g/mol
LogP5.32
Rot. Bonds7

About N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide

N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide (PubChem CID 42724470) has the molecular formula C24H21F4N3O3 and a molecular weight of 475.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide
PubChem CID42724470
Molecular FormulaC24H21F4N3O3
Molecular Weight475.44 g/mol
Exact Mass475.15
IUPAC NameN-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)N(CCNC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H21F4N3O3/c1-34-21-11-5-16(6-12-21)22(32)31(20-9-7-18(25)8-10-20)14-13-29-23(33)30-19-4-2-3-17(15-19)24(26,27)28/h2-12,15H,13-14H2,1H3,(H2,29,30,33)
InChIKeyZTAJDLDYMGFCJG-UHFFFAOYSA-N
XLogP5.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.44
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide
CID 3919303
N-(4-fluorophenyl)-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 42724477
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 970411
N-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 101430804
1-[2-(benzylcarbamoylamino)ethyl]-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 42706874
1-[2-(4-methoxyphenyl)-2-methylpropyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 113213647
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
3-(2-methoxyphenyl)-1-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 42705271
3-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-1-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 42705762
3-fluoro-N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42707208
3-(4-chlorophenyl)-1-[3-[(4-methoxyphenyl)carbamoylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 42702313

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide (CID 42724470) is N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide is COc1ccc(C(=O)N(CCNC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide?
The InChIKey is ZTAJDLDYMGFCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O3/c1-34-21-11-5-16(6-12-21)22(32)31(20-9-7-18(25)8-10-20)14-13-29-23(33)30-19-4-2-3-17(15-19)24(26,27)28/h2-12,15H,13-14H2,1H3,(H2,29,30,33).
What are the key properties of N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide?
N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide has a molecular weight of 475.44 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methoxy-N-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 42724470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).