2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide

C24H23ClN2O3 — CID 92685505

IUPAC2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C24H23ClN2O3/c1-17(30-20-11-7-10-19(25)16-20)23(28)27-22-13-6-5-12-21(22)24(29)26-15-14-18-8-3-2-4-9-18/h2-13,16-17H,14-15H2,1H3,(H,26,29)(H,27,28)/t17-/m0/s1
InChIKeyRMEPCIGMIHEEIQ-KRWDZBQOSA-N
MW422.91 g/mol
LogP4.72
Rot. Bonds8

About 2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide

2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 92685505) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID92685505
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C24H23ClN2O3/c1-17(30-20-11-7-10-19(25)16-20)23(28)27-22-13-6-5-12-21(22)24(29)26-15-14-18-8-3-2-4-9-18/h2-13,16-17H,14-15H2,1H3,(H,26,29)(H,27,28)/t17-/m0/s1
InChIKeyRMEPCIGMIHEEIQ-KRWDZBQOSA-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-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4944061
2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
CID 42906301
2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 43908435
2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4953369
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
4-chloro-3-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 11839643
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 21367574
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide
CID 133224676

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide (CID 92685505) is 2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide is C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is RMEPCIGMIHEEIQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-17(30-20-11-7-10-19(25)16-20)23(28)27-22-13-6-5-12-21(22)24(29)26-15-14-18-8-3-2-4-9-18/h2-13,16-17H,14-15H2,1H3,(H,26,29)(H,27,28)/t17-/m0/s1.
What are the key properties of 2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide?
2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-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-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 92685505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).