methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate

C17H18ClNO2 — CID 132517124

IUPACmethyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate
SMILESCOC(=O)CNC(c1ccc(C)cc1)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-12-7-9-13(10-8-12)17(19-11-16(20)21-2)14-5-3-4-6-15(14)18/h3-10,17,19H,11H2,1-2H3
InChIKeyOPQBHXUUYXOADJ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.50
Rot. Bonds5

About methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate

methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate (PubChem CID 132517124) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate
PubChem CID132517124
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Namemethyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate
SMILESCOC(=O)CNC(c1ccc(C)cc1)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-12-7-9-13(10-8-12)17(19-11-16(20)21-2)14-5-3-4-6-15(14)18/h3-10,17,19H,11H2,1-2H3
InChIKeyOPQBHXUUYXOADJ-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[(4-chlorophenyl)-(4-hydroxyphenyl)methyl]amino]acetate
CID 43095649
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022
methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate
CID 788320
methyl 2-[[[5-bromo-2-(3-chloropropanoylamino)phenyl]-(2-chlorophenyl)methyl]amino]acetate
CID 3108122
methyl 4-[[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]butanoate
CID 8641186
(R)-(2-chlorophenyl)-(4-methylphenyl)methanol
CID 7107251
methyl 2-[[[5-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
CID 3694669
1-(azetidin-1-yl)-2-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]ethanone
CID 122146754
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747
N-[2,6-di(propan-2-yl)phenyl]-2-[[(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 19874968
methyl 4-[1-(2-chlorophenyl)ethylamino]butanoate
CID 60694137

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate (CID 132517124) is methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate is COC(=O)CNC(c1ccc(C)cc1)c1ccccc1Cl.
What is the InChIKey of methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate?
The InChIKey is OPQBHXUUYXOADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-7-9-13(10-8-12)17(19-11-16(20)21-2)14-5-3-4-6-15(14)18/h3-10,17,19H,11H2,1-2H3.
What are the key properties of methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate?
methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate has a molecular weight of 303.79 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-chlorophenyl)-(4-methylphenyl)methyl]amino]acetate is sourced from PubChem (CID 132517124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).