4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide

C24H23ClN2O3 — CID 11839643

IUPAC4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl
InChIInChI=1S/C24H23ClN2O3/c1-17(30-20-10-6-3-7-11-20)23(28)27-22-16-19(12-13-21(22)25)24(29)26-15-14-18-8-4-2-5-9-18/h2-13,16-17H,14-15H2,1H3,(H,26,29)(H,27,28)
InChIKeyXPZUYZOFOVOVOT-UHFFFAOYSA-N
MW422.91 g/mol
LogP4.72
Rot. Bonds8

About 4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide

4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide (PubChem CID 11839643) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
PubChem CID11839643
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl
InChIInChI=1S/C24H23ClN2O3/c1-17(30-20-10-6-3-7-11-20)23(28)27-22-16-19(12-13-21(22)25)24(29)26-15-14-18-8-4-2-5-9-18/h2-13,16-17H,14-15H2,1H3,(H,26,29)(H,27,28)
InChIKeyXPZUYZOFOVOVOT-UHFFFAOYSA-N
XLogP4.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179514
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
methyl 4-chloro-3-[[(2S)-2-phenoxypropanoyl]amino]benzoate
CID 1041019
2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92685505
2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4944061
4-chloro-N-(2,3-dimethylphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]benzamide
CID 1041037
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 2856840
4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 1228449
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4953369

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide (CID 11839643) is 4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide is CC(Oc1ccccc1)C(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide?
The InChIKey is XPZUYZOFOVOVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-17(30-20-10-6-3-7-11-20)23(28)27-22-16-19(12-13-21(22)25)24(29)26-15-14-18-8-4-2-5-9-18/h2-13,16-17H,14-15H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide?
4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide has a molecular weight of 422.91 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 11839643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).