[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate

C16H14ClNO3 — CID 7514858

IUPAC[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NCc1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO3/c17-14-8-4-5-12(9-14)10-18-15(19)11-21-16(20)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,18,19)
InChIKeyJEDKZOAOXSIEKC-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.81
Rot. Bonds5

About [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate (PubChem CID 7514858) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate
PubChem CID7514858
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NCc1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO3/c17-14-8-4-5-12(9-14)10-18-15(19)11-21-16(20)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,18,19)
InChIKeyJEDKZOAOXSIEKC-UHFFFAOYSA-N
XLogP2.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate
CID 7700481
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133481
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 8018219
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-nitrobenzoate
CID 7834709
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(diethylamino)benzoate
CID 7665195
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 50929498
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 7486670
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998640
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387076
[2-oxo-2-(3-phenylpropylamino)ethyl] 3-chlorobenzoate
CID 2504142
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193609

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate?
The IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate (CID 7514858) is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)NCc1cccc(Cl)c1.
What is the InChIKey of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate?
The InChIKey is JEDKZOAOXSIEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-14-8-4-5-12(9-14)10-18-15(19)11-21-16(20)13-6-2-1-3-7-13/h1-9H,10-11H2,(H,18,19).
What are the key properties of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate?
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate has a molecular weight of 303.75 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate is sourced from PubChem (CID 7514858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).