(2-chlorophenyl)methyl 2-(methylamino)benzoate

C15H14ClNO2 — CID 895057

IUPAC(2-chlorophenyl)methyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCc1ccccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-17-14-9-5-3-7-12(14)15(18)19-10-11-6-2-4-8-13(11)16/h2-9,17H,10H2,1H3
InChIKeyUZHXOLQHLXGGJZ-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.74
Rot. Bonds4

About (2-chlorophenyl)methyl 2-(methylamino)benzoate

(2-chlorophenyl)methyl 2-(methylamino)benzoate (PubChem CID 895057) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-(methylamino)benzoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-(methylamino)benzoate
PubChem CID895057
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(2-chlorophenyl)methyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCc1ccccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-17-14-9-5-3-7-12(14)15(18)19-10-11-6-2-4-8-13(11)16/h2-9,17H,10H2,1H3
InChIKeyUZHXOLQHLXGGJZ-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)methyl 2-anilinobenzoate
CID 5148106
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
(4-carbamoylphenyl)methyl 2-(methylamino)benzoate
CID 18136279
2-iodoethyl 2-(methylamino)benzoate
CID 25050917
2-oxoethyl 2-(methylamino)benzoate
CID 143044559
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 2611649
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7953788
ethyl 2-[(2-chlorobenzenecarbothioyl)amino]benzoate
CID 170842399
[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate
CID 2066331
(2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate
CID 113400401
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-(methylamino)benzoate?
The IUPAC name of (2-chlorophenyl)methyl 2-(methylamino)benzoate (CID 895057) is (2-chlorophenyl)methyl 2-(methylamino)benzoate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-(methylamino)benzoate?
The canonical SMILES for (2-chlorophenyl)methyl 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 2-(methylamino)benzoate?
The InChIKey is UZHXOLQHLXGGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-17-14-9-5-3-7-12(14)15(18)19-10-11-6-2-4-8-13(11)16/h2-9,17H,10H2,1H3.
What are the key properties of (2-chlorophenyl)methyl 2-(methylamino)benzoate?
(2-chlorophenyl)methyl 2-(methylamino)benzoate has a molecular weight of 275.74 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-(methylamino)benzoate is sourced from PubChem (CID 895057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).