4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C13H18ClN3O2 — CID 61139557

IUPAC4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-8(2)16-12(18)7-17(3)13(19)10-5-4-9(15)6-11(10)14/h4-6,8H,7,15H2,1-3H3,(H,16,18)
InChIKeyDFQWBLAQJHLNGR-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.52
Rot. Bonds4

About 4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 61139557) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID61139557
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-8(2)16-12(18)7-17(3)13(19)10-5-4-9(15)6-11(10)14/h4-6,8H,7,15H2,1-3H3,(H,16,18)
InChIKeyDFQWBLAQJHLNGR-UHFFFAOYSA-N
XLogP1.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115647
4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119818676
4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride
CID 119691121
4-amino-N-butan-2-yl-2-chloro-N-methylbenzamide;hydrochloride
CID 119737738
4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105
2-bromo-4-fluoro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 31750922
3-bromo-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 113361108
methyl 4-[(4-amino-2-chlorobenzoyl)-methylamino]butanoate
CID 61109630
2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 61127317
2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 55005109
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-ylbenzamide
CID 9475393

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 61139557) is 4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CC(C)NC(=O)CN(C)C(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is DFQWBLAQJHLNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8(2)16-12(18)7-17(3)13(19)10-5-4-9(15)6-11(10)14/h4-6,8H,7,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 283.76 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 61139557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).