(2-amino-6-chlorophenyl)methyl benzoate

C14H12ClNO2 — CID 134095061

IUPAC(2-amino-6-chlorophenyl)methyl benzoate
SMILESNc1cccc(Cl)c1COC(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO2/c15-12-7-4-8-13(16)11(12)9-18-14(17)10-5-2-1-3-6-10/h1-8H,9,16H2
InChIKeyFKVSDUZSPRSCEI-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.28
Rot. Bonds3

About (2-amino-6-chlorophenyl)methyl benzoate

(2-amino-6-chlorophenyl)methyl benzoate (PubChem CID 134095061) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is (2-amino-6-chlorophenyl)methyl benzoate.

Molecular Properties

Compound Name(2-amino-6-chlorophenyl)methyl benzoate
PubChem CID134095061
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name(2-amino-6-chlorophenyl)methyl benzoate
SMILESNc1cccc(Cl)c1COC(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO2/c15-12-7-4-8-13(16)11(12)9-18-14(17)10-5-2-1-3-6-10/h1-8H,9,16H2
InChIKeyFKVSDUZSPRSCEI-UHFFFAOYSA-N
XLogP3.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dichlorophenyl)methyl 4-iodobenzoate
CID 2409698
(2,6-dichlorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665539
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924
(2-hydroxy-6-methoxyphenyl)methyl benzoate
CID 127260385
(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate
CID 63661844
(2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate
CID 1294400
2-[(2-amino-6-chlorophenyl)methoxy]benzamide
CID 63745089
benzyl benzoate
CID 2345
(2,6-dichlorophenyl)methyl 4-amino-3-nitrobenzoate
CID 4651314
(2,6-dichlorophenyl)methyl 3-acetamidobenzoate
CID 976117
(2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677110
(2-chloro-6-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665527

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chlorophenyl)methyl benzoate?
The IUPAC name of (2-amino-6-chlorophenyl)methyl benzoate (CID 134095061) is (2-amino-6-chlorophenyl)methyl benzoate.
What is the SMILES notation for (2-amino-6-chlorophenyl)methyl benzoate?
The canonical SMILES for (2-amino-6-chlorophenyl)methyl benzoate is Nc1cccc(Cl)c1COC(=O)c1ccccc1.
What is the InChIKey of (2-amino-6-chlorophenyl)methyl benzoate?
The InChIKey is FKVSDUZSPRSCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-12-7-4-8-13(16)11(12)9-18-14(17)10-5-2-1-3-6-10/h1-8H,9,16H2.
What are the key properties of (2-amino-6-chlorophenyl)methyl benzoate?
(2-amino-6-chlorophenyl)methyl benzoate has a molecular weight of 261.71 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chlorophenyl)methyl benzoate is sourced from PubChem (CID 134095061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).