(2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate

C16H14ClNO3 — CID 110670281

IUPAC(2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate
SMILESCc1ccccc1OC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-11-4-2-3-5-14(11)21-15(19)10-18-16(20)12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyJZNVYIFHXOWOHL-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.98
Rot. Bonds4

About (2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate

(2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 110670281) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is (2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID110670281
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name(2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate
SMILESCc1ccccc1OC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-11-4-2-3-5-14(11)21-15(19)10-18-16(20)12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyJZNVYIFHXOWOHL-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl) 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 110670232
(2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate
CID 110670302
4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide
CID 84567072
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7889617
(2-methylphenyl) 2-(propanoylamino)acetate
CID 110670244
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878798
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999004
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
(2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
CID 110670271
[(1S)-1-(2-chlorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879449
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4556950

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of (2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate (CID 110670281) is (2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for (2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for (2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate is Cc1ccccc1OC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is JZNVYIFHXOWOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-11-4-2-3-5-14(11)21-15(19)10-18-16(20)12-6-8-13(17)9-7-12/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of (2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate?
(2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 303.75 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 110670281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).