(2-chlorophenyl)methyl 2-anilinobenzoate

C20H16ClNO2 — CID 5148106

IUPAC(2-chlorophenyl)methyl 2-anilinobenzoate
SMILESO=C(OCc1ccccc1Cl)c1ccccc1Nc1ccccc1
InChIInChI=1S/C20H16ClNO2/c21-18-12-6-4-8-15(18)14-24-20(23)17-11-5-7-13-19(17)22-16-9-2-1-3-10-16/h1-13,22H,14H2
InChIKeyULDDTAUAZHEYSR-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.44
Rot. Bonds5

About (2-chlorophenyl)methyl 2-anilinobenzoate

(2-chlorophenyl)methyl 2-anilinobenzoate (PubChem CID 5148106) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-anilinobenzoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-anilinobenzoate
PubChem CID5148106
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC Name(2-chlorophenyl)methyl 2-anilinobenzoate
SMILESO=C(OCc1ccccc1Cl)c1ccccc1Nc1ccccc1
InChIInChI=1S/C20H16ClNO2/c21-18-12-6-4-8-15(18)14-24-20(23)17-11-5-7-13-19(17)22-16-9-2-1-3-10-16/h1-13,22H,14H2
InChIKeyULDDTAUAZHEYSR-UHFFFAOYSA-N
XLogP5.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)methyl 2-(methylamino)benzoate
CID 895057
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
(3-fluorophenyl)methyl 2-anilinobenzoate
CID 4574449
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 3694895
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 7857721
[2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate
CID 2378619
ethyl 2-(3-chloroanilino)benzoate
CID 70679381
N-(2-anilinophenyl)-2-chlorobenzamide
CID 86018002
bis(2-anilinophenyl)methanone
CID 141301141
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate
CID 7857667

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-anilinobenzoate?
The IUPAC name of (2-chlorophenyl)methyl 2-anilinobenzoate (CID 5148106) is (2-chlorophenyl)methyl 2-anilinobenzoate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-anilinobenzoate?
The canonical SMILES for (2-chlorophenyl)methyl 2-anilinobenzoate is O=C(OCc1ccccc1Cl)c1ccccc1Nc1ccccc1.
What is the InChIKey of (2-chlorophenyl)methyl 2-anilinobenzoate?
The InChIKey is ULDDTAUAZHEYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c21-18-12-6-4-8-15(18)14-24-20(23)17-11-5-7-13-19(17)22-16-9-2-1-3-10-16/h1-13,22H,14H2.
What are the key properties of (2-chlorophenyl)methyl 2-anilinobenzoate?
(2-chlorophenyl)methyl 2-anilinobenzoate has a molecular weight of 337.81 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-anilinobenzoate is sourced from PubChem (CID 5148106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).