methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate

C13H17ClN2O3 — CID 61109430

IUPACmethyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H17ClN2O3/c1-3-6-16(8-12(17)19-2)13(18)10-7-9(14)4-5-11(10)15/h4-5,7H,3,6,8,15H2,1-2H3
InChIKeyQTPOGYZZYQEUCG-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.95
Rot. Bonds5

About methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate

methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate (PubChem CID 61109430) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate
PubChem CID61109430
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Namemethyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H17ClN2O3/c1-3-6-16(8-12(17)19-2)13(18)10-7-9(14)4-5-11(10)15/h4-5,7H,3,6,8,15H2,1-2H3
InChIKeyQTPOGYZZYQEUCG-UHFFFAOYSA-N
XLogP1.95
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61138545
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
CID 106501642
methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate
CID 106491024
2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 61106038
2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate
CID 103644943
methyl 2-[(4-amino-3-methoxybenzoyl)-propylamino]acetate
CID 104782582
methyl 2-[(2-fluoro-5-nitrobenzoyl)-propylamino]acetate
CID 61050888
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63696093
2-bromo-5-chloro-N,N-dipropylbenzamide
CID 78849542
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate (CID 61109430) is methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)c1cc(Cl)ccc1N.
What is the InChIKey of methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate?
The InChIKey is QTPOGYZZYQEUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-3-6-16(8-12(17)19-2)13(18)10-7-9(14)4-5-11(10)15/h4-5,7H,3,6,8,15H2,1-2H3.
What are the key properties of methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate?
methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate has a molecular weight of 284.74 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate is sourced from PubChem (CID 61109430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).