N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide

C30H25F3N2O2 — CID 22978564

IUPACN-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide
SMILESO=C(CCc1ccc(F)cc1)NCc1ccccc1-c1ccccc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C30H25F3N2O2/c31-23-13-9-20(10-14-23)11-16-29(36)34-18-21-5-1-2-6-25(21)26-7-3-4-8-27(26)30(37)35-19-22-12-15-24(32)17-28(22)33/h1-10,12-15,17H,11,16,18-19H2,(H,34,36)(H,35,37)
InChIKeyDLDUCKWGLPQTQZ-UHFFFAOYSA-N
MW502.54 g/mol
LogP5.95
Rot. Bonds9

About N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide

N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide (PubChem CID 22978564) has the molecular formula C30H25F3N2O2 and a molecular weight of 502.54 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide
PubChem CID22978564
Molecular FormulaC30H25F3N2O2
Molecular Weight502.54 g/mol
Exact Mass502.19
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide
SMILESO=C(CCc1ccc(F)cc1)NCc1ccccc1-c1ccccc1C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C30H25F3N2O2/c31-23-13-9-20(10-14-23)11-16-29(36)34-18-21-5-1-2-6-25(21)26-7-3-4-8-27(26)30(37)35-19-22-12-15-24(32)17-28(22)33/h1-10,12-15,17H,11,16,18-19H2,(H,34,36)(H,35,37)
InChIKeyDLDUCKWGLPQTQZ-UHFFFAOYSA-N
XLogP5.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.54
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)methyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 22978511
phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 22978589
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
CID 41499879
N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide
CID 62227209
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003
2-(2,4-difluorophenyl)-N-[(2-pyridin-3-ylphenyl)methyl]acetamide
CID 166339826
(2S)-N-[2-[[(2S)-1-[(2,4-difluorophenyl)methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[3-(4-fluorophenyl)propanoylamino]-3-(4-hydroxyphenyl)propanamide
CID 46879121
2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate
CID 7407568
3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 46485685
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
N-[(2,4-difluorophenyl)methyl]-2-phenoxyacetamide
CID 110782203
3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 103985523

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide (CID 22978564) is N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide is O=C(CCc1ccc(F)cc1)NCc1ccccc1-c1ccccc1C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide?
The InChIKey is DLDUCKWGLPQTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N2O2/c31-23-13-9-20(10-14-23)11-16-29(36)34-18-21-5-1-2-6-25(21)26-7-3-4-8-27(26)30(37)35-19-22-12-15-24(32)17-28(22)33/h1-10,12-15,17H,11,16,18-19H2,(H,34,36)(H,35,37).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide?
N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide has a molecular weight of 502.54 g/mol, XLogP of 5.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-[2-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]benzamide is sourced from PubChem (CID 22978564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).