methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate

C14H18ClNO3 — CID 63195216

IUPACmethyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(C)c(Cl)c1)C(C)C
InChIInChI=1S/C14H18ClNO3/c1-9(2)16(8-13(17)19-4)14(18)11-6-5-10(3)12(15)7-11/h5-7,9H,8H2,1-4H3
InChIKeyBXZRATJIFGZKFJ-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.67
Rot. Bonds4

About methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate

methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate (PubChem CID 63195216) has the molecular formula C14H18ClNO3 and a molecular weight of 283.76 g/mol. Its IUPAC name is methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate
PubChem CID63195216
Molecular FormulaC14H18ClNO3
Molecular Weight283.76 g/mol
Exact Mass283.10
IUPAC Namemethyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(C)c(Cl)c1)C(C)C
InChIInChI=1S/C14H18ClNO3/c1-9(2)16(8-13(17)19-4)14(18)11-6-5-10(3)12(15)7-11/h5-7,9H,8H2,1-4H3
InChIKeyBXZRATJIFGZKFJ-UHFFFAOYSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 55161786
methyl 2-[(3-fluoro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 54942287
methyl 2-[(3-chloro-4-methylbenzoyl)-methylamino]acetate
CID 63194919
methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 103876685
methyl 2-[(3-chloro-4-methylphenyl)carbamoyl-propan-2-ylamino]acetate
CID 60970548
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937
methyl 2-[(3-chloro-4-methylbenzoyl)-cyclopentylamino]acetate
CID 80718269
methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 55005992
methyl 2-[(4-bromo-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55133439
methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 104782581
methyl 3-[(3-chloro-4-methylbenzoyl)-methylamino]propanoate
CID 63195175
methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 54941995

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate (CID 63195216) is methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1ccc(C)c(Cl)c1)C(C)C.
What is the InChIKey of methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate?
The InChIKey is BXZRATJIFGZKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-9(2)16(8-13(17)19-4)14(18)11-6-5-10(3)12(15)7-11/h5-7,9H,8H2,1-4H3.
What are the key properties of methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate?
methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate has a molecular weight of 283.76 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 63195216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).