2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide

C23H21ClN2O3 — CID 86954742

IUPAC2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide
SMILESCC(OCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H21ClN2O3/c1-16(29-15-17-8-4-2-5-9-17)22(27)26-19-12-13-21(24)20(14-19)23(28)25-18-10-6-3-7-11-18/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyFSVUPTDLGKAEJY-UHFFFAOYSA-N
MW408.89 g/mol
LogP5.14
Rot. Bonds7

About 2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide

2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide (PubChem CID 86954742) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide
PubChem CID86954742
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide
SMILESCC(OCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H21ClN2O3/c1-16(29-15-17-8-4-2-5-9-17)22(27)26-19-12-13-21(24)20(14-19)23(28)25-18-10-6-3-7-11-18/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyFSVUPTDLGKAEJY-UHFFFAOYSA-N
XLogP5.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[[(2R)-2-ethoxypropanoyl]amino]-N-phenylbenzamide
CID 96550328
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798
2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide
CID 86983287
N-(4-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187551
N-(3-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187553
3-[4-(2-phenylmethoxypropanoylamino)phenyl]butanoic acid
CID 113419980
2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid
CID 119253847
N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide
CID 87026041
N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide
CID 47028953
N-[4-(azepan-1-yl)phenyl]-2-phenylmethoxypropanamide
CID 55649917
2-chloro-5-(2-methoxypropanoylamino)benzoic acid
CID 112685827
5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide
CID 2953641

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide?
The IUPAC name of 2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide (CID 86954742) is 2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide is CC(OCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide?
The InChIKey is FSVUPTDLGKAEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-16(29-15-17-8-4-2-5-9-17)22(27)26-19-12-13-21(24)20(14-19)23(28)25-18-10-6-3-7-11-18/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide?
2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide has a molecular weight of 408.89 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenyl-5-(2-phenylmethoxypropanoylamino)benzamide is sourced from PubChem (CID 86954742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).