(2-chlorophenyl)methyl 3-(2-methylanilino)propanoate

C17H18ClNO2 — CID 60717447

IUPAC(2-chlorophenyl)methyl 3-(2-methylanilino)propanoate
SMILESCc1ccccc1NCCC(=O)OCc1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-13-6-2-5-9-16(13)19-11-10-17(20)21-12-14-7-3-4-8-15(14)18/h2-9,19H,10-12H2,1H3
InChIKeyQMZYXZIIQGGPIQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.19
Rot. Bonds6

About (2-chlorophenyl)methyl 3-(2-methylanilino)propanoate

(2-chlorophenyl)methyl 3-(2-methylanilino)propanoate (PubChem CID 60717447) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 3-(2-methylanilino)propanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 3-(2-methylanilino)propanoate
PubChem CID60717447
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(2-chlorophenyl)methyl 3-(2-methylanilino)propanoate
SMILESCc1ccccc1NCCC(=O)OCc1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-13-6-2-5-9-16(13)19-11-10-17(20)21-12-14-7-3-4-8-15(14)18/h2-9,19H,10-12H2,1H3
InChIKeyQMZYXZIIQGGPIQ-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-methylanilino)propanoate
CID 12805940
(2-chlorophenyl)methyl 4-amino-4-methylpentanoate
CID 62050226
3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033991
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
bis[(2-methylphenyl)methyl] pentanedioate
CID 91703351
(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 46796022
2-ethylhexyl 3-(2-methylanilino)propanoate
CID 15918765
methyl 3-[2-(aminomethyl)anilino]propanoate
CID 69214017
(2-chlorophenyl)methyl 2-(prop-2-ynylamino)acetate
CID 79274047
(2-chlorophenyl)methyl 2-(methylamino)benzoate
CID 895057
2-[2-(2-methylanilino)ethoxy]ethyl butanoate
CID 102065090

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 3-(2-methylanilino)propanoate?
The IUPAC name of (2-chlorophenyl)methyl 3-(2-methylanilino)propanoate (CID 60717447) is (2-chlorophenyl)methyl 3-(2-methylanilino)propanoate.
What is the SMILES notation for (2-chlorophenyl)methyl 3-(2-methylanilino)propanoate?
The canonical SMILES for (2-chlorophenyl)methyl 3-(2-methylanilino)propanoate is Cc1ccccc1NCCC(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 3-(2-methylanilino)propanoate?
The InChIKey is QMZYXZIIQGGPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-13-6-2-5-9-16(13)19-11-10-17(20)21-12-14-7-3-4-8-15(14)18/h2-9,19H,10-12H2,1H3.
What are the key properties of (2-chlorophenyl)methyl 3-(2-methylanilino)propanoate?
(2-chlorophenyl)methyl 3-(2-methylanilino)propanoate has a molecular weight of 303.79 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 3-(2-methylanilino)propanoate is sourced from PubChem (CID 60717447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).