(2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate

C15H13ClN2O3 — CID 61322453

IUPAC(2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate
SMILESNC(=O)c1ccccc1COC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C15H13ClN2O3/c16-10-5-6-12(13(17)7-10)15(20)21-8-9-3-1-2-4-11(9)14(18)19/h1-7H,8,17H2,(H2,18,19)
InChIKeyAZKBIHOVJGDSIU-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.38
Rot. Bonds4

About (2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate

(2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate (PubChem CID 61322453) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is (2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate.

Molecular Properties

Compound Name(2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate
PubChem CID61322453
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name(2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate
SMILESNC(=O)c1ccccc1COC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C15H13ClN2O3/c16-10-5-6-12(13(17)7-10)15(20)21-8-9-3-1-2-4-11(9)14(18)19/h1-7H,8,17H2,(H2,18,19)
InChIKeyAZKBIHOVJGDSIU-UHFFFAOYSA-N
XLogP2.38
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-2-oxoethyl) 2-amino-4-chlorobenzoate
CID 2389727
(2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate
CID 61322116
propyl 2-amino-4-chlorobenzoate
CID 28690133
(4-propan-2-ylphenyl)methyl 2-amino-4-chlorobenzoate
CID 60644459
2-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
CID 81180680
(4-cyano-2-methylphenyl)methyl 2-amino-4-chlorobenzoate
CID 114485160
1,3-benzothiazol-2-ylmethyl 2-amino-4-chlorobenzoate
CID 2369518
(2-cyanophenyl)methyl 2-amino-5-chlorobenzoate
CID 60643327
ethoxymethyl 2-amino-4-chlorobenzoate
CID 65369666
(4-chloro-2-fluorophenyl)methyl 2-amino-4,5-difluorobenzoate
CID 114857748
(3-chloro-2-fluorophenyl)methyl 2,4-diaminobenzoate
CID 102858189
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate?
The IUPAC name of (2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate (CID 61322453) is (2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate.
What is the SMILES notation for (2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate?
The canonical SMILES for (2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate is NC(=O)c1ccccc1COC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of (2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate?
The InChIKey is AZKBIHOVJGDSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-10-5-6-12(13(17)7-10)15(20)21-8-9-3-1-2-4-11(9)14(18)19/h1-7H,8,17H2,(H2,18,19).
What are the key properties of (2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate?
(2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate has a molecular weight of 304.73 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenyl)methyl 2-amino-4-chlorobenzoate is sourced from PubChem (CID 61322453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).