methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate

C16H14ClNO3 — CID 62505130

IUPACmethyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C16H14ClNO3/c1-21-16(20)12-5-3-7-14(10-12)18-15(19)9-11-4-2-6-13(17)8-11/h2-8,10H,9H2,1H3,(H,18,19)
InChIKeyQNSOQWKZGLVZBG-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.31
Rot. Bonds4

About methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate

methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate (PubChem CID 62505130) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
PubChem CID62505130
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Namemethyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C16H14ClNO3/c1-21-16(20)12-5-3-7-14(10-12)18-15(19)9-11-4-2-6-13(17)8-11/h2-8,10H,9H2,1H3,(H,18,19)
InChIKeyQNSOQWKZGLVZBG-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

N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide
CID 113270904
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 3-[[3-(4-chloro-2-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108955199
methyl 3-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate
CID 110424175
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832
4-[[2-(3-chlorophenyl)acetyl]amino]benzamide
CID 56922735
methyl 3-[(2-methylsulfonylacetyl)amino]benzoate
CID 61344209
methyl 3-[[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109033256
methyl 3-[[3-(benzylamino)-3-oxopropanoyl]amino]benzoate
CID 108945310
methyl 3-[3-(3,4-dichlorophenyl)propanoylamino]benzoate
CID 100595486

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate (CID 62505130) is methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)Cc2cccc(Cl)c2)c1.
What is the InChIKey of methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate?
The InChIKey is QNSOQWKZGLVZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-21-16(20)12-5-3-7-14(10-12)18-15(19)9-11-4-2-6-13(17)8-11/h2-8,10H,9H2,1H3,(H,18,19).
What are the key properties of methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate?
methyl 3-[[2-(3-chlorophenyl)acetyl]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 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate is sourced from PubChem (CID 62505130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).