benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate

C23H20ClNO3 — CID 7198296

IUPACbenzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESO=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H20ClNO3/c24-20-14-8-7-13-19(20)23(27)25-21(18-11-5-2-6-12-18)15-22(26)28-16-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,25,27)/t21-/m0/s1
InChIKeyPNOCBRFWGONFHP-NRFANRHFSA-N
MW393.87 g/mol
LogP4.94
Rot. Bonds7

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

benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (PubChem CID 7198296) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namebenzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
PubChem CID7198296
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC Namebenzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
SMILESO=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H20ClNO3/c24-20-14-8-7-13-19(20)23(27)25-21(18-11-5-2-6-12-18)15-22(26)28-16-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,25,27)/t21-/m0/s1
InChIKeyPNOCBRFWGONFHP-NRFANRHFSA-N
XLogP4.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate
CID 18277631
cyanomethyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 42967927
(4-chlorophenyl) (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7900869
benzyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608690
[2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55306218
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7870128
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide
CID 2087143
(5-phenyl-1,2-oxazol-3-yl)methyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55399477
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198264
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198266
(2-oxo-2-phenothiazin-10-ylethyl) 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 4043095

Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate (CID 7198296) is benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
The InChIKey is PNOCBRFWGONFHP-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20ClNO3/c24-20-14-8-7-13-19(20)23(27)25-21(18-11-5-2-6-12-18)15-22(26)28-16-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,25,27)/t21-/m0/s1.
What are the key properties of benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate?
benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate has a molecular weight of 393.87 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 7198296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).