methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate

C14H18ClNO3 — CID 106491024

IUPACmethyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C14H18ClNO3/c1-4-7-16(9-13(17)19-3)14(18)11-6-5-10(2)8-12(11)15/h5-6,8H,4,7,9H2,1-3H3
InChIKeyDWZZYTZSSMBUDE-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.67
Rot. Bonds5

About methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate

methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate (PubChem CID 106491024) has the molecular formula C14H18ClNO3 and a molecular weight of 283.76 g/mol. Its IUPAC name is methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate
PubChem CID106491024
Molecular FormulaC14H18ClNO3
Molecular Weight283.76 g/mol
Exact Mass283.10
IUPAC Namemethyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C14H18ClNO3/c1-4-7-16(9-13(17)19-3)14(18)11-6-5-10(2)8-12(11)15/h5-6,8H,4,7,9H2,1-3H3
InChIKeyDWZZYTZSSMBUDE-UHFFFAOYSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

methyl 2-[(2-chloro-4-methylbenzoyl)-methylamino]acetate
CID 106509702
methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
CID 106501642
ethyl 2-[(4-bromo-2-chlorobenzoyl)-propylamino]acetate
CID 61008661
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide
CID 106863360
methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189
methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate
CID 103644943
methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate
CID 61109430
methyl 2-[(2,4-dimethylbenzoyl)-ethylamino]acetate
CID 54979100
2-[(2-chloro-4-methylbenzoyl)-ethylamino]acetic acid
CID 106860509
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106862424
2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61008916
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate (CID 106491024) is methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)c1ccc(C)cc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate?
The InChIKey is DWZZYTZSSMBUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-4-7-16(9-13(17)19-3)14(18)11-6-5-10(2)8-12(11)15/h5-6,8H,4,7,9H2,1-3H3.
What are the key properties of methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate?
methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate has a molecular weight of 283.76 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate is sourced from PubChem (CID 106491024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).