2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide

C24H23ClN2O3 — CID 4944061

IUPAC2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C24H23ClN2O3/c1-17(30-20-13-11-19(25)12-14-20)23(28)27-22-10-6-5-9-21(22)24(29)26-16-15-18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyYLIDZUQRBWSIJO-UHFFFAOYSA-N
MW422.91 g/mol
LogP4.72
Rot. Bonds8

About 2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide

2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide (PubChem CID 4944061) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
PubChem CID4944061
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C24H23ClN2O3/c1-17(30-20-13-11-19(25)12-14-20)23(28)27-22-10-6-5-9-21(22)24(29)26-16-15-18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyYLIDZUQRBWSIJO-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

2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92685505
2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4953369
2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide
CID 4944066
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 11839643
2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
CID 42906301
N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449
2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 43908435
N-(2-aminoethyl)-2-[2-(4-tert-butylphenoxy)propanoylamino]benzamide;hydrochloride
CID 120604424
2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 132666482

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide (CID 4944061) is 2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is YLIDZUQRBWSIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-17(30-20-13-11-19(25)12-14-20)23(28)27-22-10-6-5-9-21(22)24(29)26-16-15-18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide?
2-[2-(4-chlorophenoxy)propanoylamino]-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 2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 4944061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).