methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate

C16H14ClNO3 — CID 956278

IUPACmethyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H14ClNO3/c1-21-16(20)12-7-8-13(17)14(10-12)18-15(19)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19)
InChIKeyMEGSAICBDDDUQP-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.31
Rot. Bonds4

About methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate

methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate (PubChem CID 956278) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
PubChem CID956278
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Namemethyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C16H14ClNO3/c1-21-16(20)12-7-8-13(17)14(10-12)18-15(19)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19)
InChIKeyMEGSAICBDDDUQP-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-3-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999940
methyl 3-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-4-chlorobenzoate
CID 7155492
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
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methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
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methyl 4-chloro-3-[(5-oxo-5-phenylpentanoyl)amino]benzoate
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methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000016
6-(2-chloro-5-methoxycarbonylanilino)-6-oxohexanoic acid
CID 43579926
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019
methyl 4-chloro-3-(phenylcarbamoylamino)benzoate
CID 110423296
methyl 4-chloro-3-[[2-(2-chloroanilino)-2-oxoacetyl]amino]benzoate
CID 108987050
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
dimethyl 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylate
CID 668857

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate (CID 956278) is methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate?
The InChIKey is MEGSAICBDDDUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-21-16(20)12-7-8-13(17)14(10-12)18-15(19)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19).
What are the key properties of methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate?
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate has a molecular weight of 303.75 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 956278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).