[2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate

C23H18ClNO4 — CID 1279664

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate
SMILESO=C(Cc1ccccc1)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H18ClNO4/c24-19-11-9-17(10-12-19)21(26)15-29-23(28)18-7-4-8-20(14-18)25-22(27)13-16-5-2-1-3-6-16/h1-12,14H,13,15H2,(H,25,27)
InChIKeyOFVBHUQILWAWCL-UHFFFAOYSA-N
MW407.85 g/mol
LogP4.56
Rot. Bonds7

About [2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate

[2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate (PubChem CID 1279664) has the molecular formula C23H18ClNO4 and a molecular weight of 407.85 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate
PubChem CID1279664
Molecular FormulaC23H18ClNO4
Molecular Weight407.85 g/mol
Exact Mass407.09
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate
SMILESO=C(Cc1ccccc1)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H18ClNO4/c24-19-11-9-17(10-12-19)21(26)15-29-23(28)18-7-4-8-20(14-18)25-22(27)13-16-5-2-1-3-6-16/h1-12,14H,13,15H2,(H,25,27)
InChIKeyOFVBHUQILWAWCL-UHFFFAOYSA-N
XLogP4.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-methylbenzoyl)amino]benzoate
CID 126188615
[2-(3-methoxyphenyl)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]benzoate
CID 1217731
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520
propan-2-yl 3-[(2-phenylacetyl)amino]benzoate
CID 23905172
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
CID 62505130
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 2582191
N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
CID 26162876
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 2682381
[2-(4-chloroanilino)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 19059171
3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197433
[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-aminobenzoyl)amino]benzoate
CID 71462210
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate (CID 1279664) is [2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate is O=C(Cc1ccccc1)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate?
The InChIKey is OFVBHUQILWAWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO4/c24-19-11-9-17(10-12-19)21(26)15-29-23(28)18-7-4-8-20(14-18)25-22(27)13-16-5-2-1-3-6-16/h1-12,14H,13,15H2,(H,25,27).
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate?
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate has a molecular weight of 407.85 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 1279664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).