phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate

C24H20ClNO4 — CID 40796590

IUPACphenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESO=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C24H20ClNO4/c25-20-13-11-19(12-14-20)23(28)26-21(15-17-7-3-1-4-8-17)24(29)30-16-22(27)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,26,28)/t21-/m0/s1
InChIKeyKLVKBLUAJQANCF-NRFANRHFSA-N
MW421.88 g/mol
LogP4.11
Rot. Bonds8

About phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate

phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate (PubChem CID 40796590) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namephenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
PubChem CID40796590
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC Namephenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESO=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C24H20ClNO4/c25-20-13-11-19(12-14-20)23(28)26-21(15-17-7-3-1-4-8-17)24(29)30-16-22(27)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,26,28)/t21-/m0/s1
InChIKeyKLVKBLUAJQANCF-NRFANRHFSA-N
XLogP4.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] (2R)-2-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 2277367
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 43030429
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55925984
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 55398886
[2-(1-benzofuran-2-yl)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2340919
[2-(4-chlorophenyl)-2-oxoethyl] 3-benzamidobutanoate
CID 46819830
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2582585
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 3372467
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612
[2-(4-methylphenyl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 3513552
[2-(4-fluorophenyl)-2-oxoethyl] 2-acetamido-3-phenylpropanoate
CID 2913195

Frequently Asked Questions

What is the IUPAC name of phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate (CID 40796590) is phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate is O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate?
The InChIKey is KLVKBLUAJQANCF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H20ClNO4/c25-20-13-11-19(12-14-20)23(28)26-21(15-17-7-3-1-4-8-17)24(29)30-16-22(27)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,26,28)/t21-/m0/s1.
What are the key properties of phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate?
phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate has a molecular weight of 421.88 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 40796590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).