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

C15H14ClNO2 — CID 43087858

IUPACmethyl 2-[(2-chlorophenyl)methylamino]benzoate
SMILESCOC(=O)c1ccccc1NCc1ccccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-19-15(18)12-7-3-5-9-14(12)17-10-11-6-2-4-8-13(11)16/h2-9,17H,10H2,1H3
InChIKeyKRLVCPZQUBPYLU-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.74
Rot. Bonds4

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

methyl 2-[(2-chlorophenyl)methylamino]benzoate (PubChem CID 43087858) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is methyl 2-[(2-chlorophenyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-chlorophenyl)methylamino]benzoate
PubChem CID43087858
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Namemethyl 2-[(2-chlorophenyl)methylamino]benzoate
SMILESCOC(=O)c1ccccc1NCc1ccccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-19-15(18)12-7-3-5-9-14(12)17-10-11-6-2-4-8-13(11)16/h2-9,17H,10H2,1H3
InChIKeyKRLVCPZQUBPYLU-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

methyl 2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841534
methyl 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzoate
CID 115951267
methyl 2-[(2-chlorophenyl)methylsulfinylmethyl]benzoate
CID 103289225
methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate
CID 43774551
methyl 2-[(4-bromo-2-chloroanilino)methyl]benzoate
CID 43774895
methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 109010077
2-[2-[(2-chlorophenyl)methylamino]phenyl]-2-iminoacetic acid
CID 143179363
methyl 2-(1-benzofuran-3-ylmethylamino)benzoate
CID 80701199
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]benzoate
CID 51047353
methyl 2-(1H-indol-7-ylmethylamino)benzoate
CID 102909440
methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43230186
methyl 2-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107758

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chlorophenyl)methylamino]benzoate?
The IUPAC name of methyl 2-[(2-chlorophenyl)methylamino]benzoate (CID 43087858) is methyl 2-[(2-chlorophenyl)methylamino]benzoate.
What is the SMILES notation for methyl 2-[(2-chlorophenyl)methylamino]benzoate?
The canonical SMILES for methyl 2-[(2-chlorophenyl)methylamino]benzoate is COC(=O)c1ccccc1NCc1ccccc1Cl.
What is the InChIKey of methyl 2-[(2-chlorophenyl)methylamino]benzoate?
The InChIKey is KRLVCPZQUBPYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-19-15(18)12-7-3-5-9-14(12)17-10-11-6-2-4-8-13(11)16/h2-9,17H,10H2,1H3.
What are the key properties of methyl 2-[(2-chlorophenyl)methylamino]benzoate?
methyl 2-[(2-chlorophenyl)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 methyl 2-[(2-chlorophenyl)methylamino]benzoate is sourced from PubChem (CID 43087858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).