(2-cyanophenyl)methyl 2-amino-5-chlorobenzoate

C15H11ClN2O2 — CID 60643327

IUPAC(2-cyanophenyl)methyl 2-amino-5-chlorobenzoate
SMILESN#Cc1ccccc1COC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C15H11ClN2O2/c16-12-5-6-14(18)13(7-12)15(19)20-9-11-4-2-1-3-10(11)8-17/h1-7H,9,18H2
InChIKeyASELHJRUXLZXMY-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.15
Rot. Bonds3

About (2-cyanophenyl)methyl 2-amino-5-chlorobenzoate

(2-cyanophenyl)methyl 2-amino-5-chlorobenzoate (PubChem CID 60643327) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is (2-cyanophenyl)methyl 2-amino-5-chlorobenzoate.

Molecular Properties

Compound Name(2-cyanophenyl)methyl 2-amino-5-chlorobenzoate
PubChem CID60643327
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name(2-cyanophenyl)methyl 2-amino-5-chlorobenzoate
SMILESN#Cc1ccccc1COC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C15H11ClN2O2/c16-12-5-6-14(18)13(7-12)15(19)20-9-11-4-2-1-3-10(11)8-17/h1-7H,9,18H2
InChIKeyASELHJRUXLZXMY-UHFFFAOYSA-N
XLogP3.15
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-cyanophenyl)methyl 2-amino-5-methylbenzoate
CID 60768737
(2-cyanophenyl)methyl 2-(4-chlorobenzoyl)benzoate
CID 2640388
(2,4-dichlorophenyl)methyl 2-(2-cyanophenyl)benzoate
CID 7520296
(2-cyanophenyl)methyl 2-amino-4-fluorobenzoate
CID 115578116
2-[(2-amino-4-chlorophenoxy)methyl]benzonitrile
CID 24704666
(2-cyanophenyl)methyl 2-methoxybenzoate
CID 2640366
(2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616446
(2-chloro-5-fluorophenyl)methyl 2-amino-5-chlorobenzoate
CID 102619590
(2-cyanophenyl)methyl carbamate
CID 66644204
(2-cyanophenyl)methyl 2-chloro-5-(5-formylfuran-2-yl)benzoate
CID 1290493
(2-cyanophenyl)methyl 2,4-dimethoxybenzoate
CID 9203493
(3-cyano-2-fluorophenyl)methyl 5-amino-2-fluorobenzoate
CID 107119254

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl 2-amino-5-chlorobenzoate?
The IUPAC name of (2-cyanophenyl)methyl 2-amino-5-chlorobenzoate (CID 60643327) is (2-cyanophenyl)methyl 2-amino-5-chlorobenzoate.
What is the SMILES notation for (2-cyanophenyl)methyl 2-amino-5-chlorobenzoate?
The canonical SMILES for (2-cyanophenyl)methyl 2-amino-5-chlorobenzoate is N#Cc1ccccc1COC(=O)c1cc(Cl)ccc1N.
What is the InChIKey of (2-cyanophenyl)methyl 2-amino-5-chlorobenzoate?
The InChIKey is ASELHJRUXLZXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-5-6-14(18)13(7-12)15(19)20-9-11-4-2-1-3-10(11)8-17/h1-7H,9,18H2.
What are the key properties of (2-cyanophenyl)methyl 2-amino-5-chlorobenzoate?
(2-cyanophenyl)methyl 2-amino-5-chlorobenzoate has a molecular weight of 286.72 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)methyl 2-amino-5-chlorobenzoate is sourced from PubChem (CID 60643327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).