2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide

C13H18ClN3O2 — CID 61138545

IUPAC2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)NC)C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H18ClN3O2/c1-3-6-17(8-12(18)16-2)13(19)10-7-9(14)4-5-11(10)15/h4-5,7H,3,6,8,15H2,1-2H3,(H,16,18)
InChIKeyULOINBRPULPGGW-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.52
Rot. Bonds5

About 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide

2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 61138545) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
PubChem CID61138545
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)NC)C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H18ClN3O2/c1-3-6-17(8-12(18)16-2)13(19)10-7-9(14)4-5-11(10)15/h4-5,7H,3,6,8,15H2,1-2H3,(H,16,18)
InChIKeyULOINBRPULPGGW-UHFFFAOYSA-N
XLogP1.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate
CID 61109430
2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
2-amino-N-ethyl-5-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107074115
4-amino-3,5-dichloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 82833354
2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 103882596
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61046623
2-bromo-5-chloro-N,N-dipropylbenzamide
CID 78849542
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63696093
3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 103735187
2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 61106038
N-(2-bromoethyl)-5-chloro-2-fluoro-N-propylbenzamide
CID 80665950

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide (CID 61138545) is 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)NC)C(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is ULOINBRPULPGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-6-17(8-12(18)16-2)13(19)10-7-9(14)4-5-11(10)15/h4-5,7H,3,6,8,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 283.76 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 61138545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).