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

C17H16ClNO3 — CID 7879494

IUPAC(3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESCc1cccc(COC(=O)CNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO3/c1-12-3-2-4-13(9-12)11-22-16(20)10-19-17(21)14-5-7-15(18)8-6-14/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyDBLQPXNCZXNREV-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.12
Rot. Bonds5

About (3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate

(3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 7879494) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID7879494
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESCc1cccc(COC(=O)CNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO3/c1-12-3-2-4-13(9-12)11-22-16(20)10-19-17(21)14-5-7-15(18)8-6-14/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyDBLQPXNCZXNREV-UHFFFAOYSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-nitrophenyl)methyl 2-[(4-methylbenzoyl)amino]acetate
CID 5013041
(3-methylphenyl)methyl 3-[(4-bromobenzoyl)amino]propanoate
CID 8574720
(4-bromophenyl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 9363996
[3-(trifluoromethyl)phenyl]methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35661532
benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
CID 27711366
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363665
(3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate
CID 42979993
2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7038818
bis[(3-methylphenyl)methyl] pentanedioate
CID 91711013
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of (3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate (CID 7879494) is (3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for (3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for (3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate is Cc1cccc(COC(=O)CNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is DBLQPXNCZXNREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-12-3-2-4-13(9-12)11-22-16(20)10-19-17(21)14-5-7-15(18)8-6-14/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of (3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
(3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 317.77 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 7879494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).