(4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate

C23H20ClNO3 — CID 18277631

IUPAC(4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C23H20ClNO3/c24-20-13-11-17(12-14-20)16-28-22(26)15-21(18-7-3-1-4-8-18)25-23(27)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,25,27)
InChIKeyGARFFAJSBCGUTK-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.94
Rot. Bonds7

About (4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate

(4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate (PubChem CID 18277631) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate
PubChem CID18277631
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC Name(4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C23H20ClNO3/c24-20-13-11-17(12-14-20)16-28-22(26)15-21(18-7-3-1-4-8-18)25-23(27)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,25,27)
InChIKeyGARFFAJSBCGUTK-UHFFFAOYSA-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

benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198296
benzyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608690
(4-chlorophenyl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608684
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 55307356
naphthalen-1-ylmethyl (3S)-3-benzamido-3-phenylpropanoate
CID 7221887
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate
CID 47013808
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
cyanomethyl (3R)-3-benzamido-3-phenylpropanoate
CID 7214927
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-benzamido-3-phenylpropanoate
CID 42970741
[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214693

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate?
The IUPAC name of (4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate (CID 18277631) is (4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate.
What is the SMILES notation for (4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate?
The canonical SMILES for (4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate?
The InChIKey is GARFFAJSBCGUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3/c24-20-13-11-17(12-14-20)16-28-22(26)15-21(18-7-3-1-4-8-18)25-23(27)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,25,27).
What are the key properties of (4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate?
(4-chlorophenyl)methyl 3-benzamido-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 (4-chlorophenyl)methyl 3-benzamido-3-phenylpropanoate is sourced from PubChem (CID 18277631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).