4-amino-3-(3-chloroanilino)-N-propylbutanamide

C13H20ClN3O — CID 66429319

IUPAC4-amino-3-(3-chloroanilino)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)Nc1cccc(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-2-6-16-13(18)8-12(9-15)17-11-5-3-4-10(14)7-11/h3-5,7,12,17H,2,6,8-9,15H2,1H3,(H,16,18)
InChIKeyWJABEPCEYLEKGR-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.00
Rot. Bonds7

About 4-amino-3-(3-chloroanilino)-N-propylbutanamide

4-amino-3-(3-chloroanilino)-N-propylbutanamide (PubChem CID 66429319) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-amino-3-(3-chloroanilino)-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-(3-chloroanilino)-N-propylbutanamide
PubChem CID66429319
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-amino-3-(3-chloroanilino)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)Nc1cccc(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-2-6-16-13(18)8-12(9-15)17-11-5-3-4-10(14)7-11/h3-5,7,12,17H,2,6,8-9,15H2,1H3,(H,16,18)
InChIKeyWJABEPCEYLEKGR-UHFFFAOYSA-N
XLogP2.00
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide
CID 114838945
4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide
CID 107573090
4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide
CID 66428887
3-(aminomethyl)-N-(3-chlorophenyl)hexanamide
CID 112516422
ethyl 2-(3-chloroanilino)-3-methylbutanoate
CID 61317893
(2R)-2-(3-chloroanilino)pentanoic acid
CID 40801075
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
1-(3-chloroanilino)butan-1-ol
CID 143119742
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
(2R)-2-(3-chloroanilino)propanamide;hydrochloride
CID 164755970
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-chloroanilino)-N-propylbutanamide?
The IUPAC name of 4-amino-3-(3-chloroanilino)-N-propylbutanamide (CID 66429319) is 4-amino-3-(3-chloroanilino)-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-(3-chloroanilino)-N-propylbutanamide?
The canonical SMILES for 4-amino-3-(3-chloroanilino)-N-propylbutanamide is CCCNC(=O)CC(CN)Nc1cccc(Cl)c1.
What is the InChIKey of 4-amino-3-(3-chloroanilino)-N-propylbutanamide?
The InChIKey is WJABEPCEYLEKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-6-16-13(18)8-12(9-15)17-11-5-3-4-10(14)7-11/h3-5,7,12,17H,2,6,8-9,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-3-(3-chloroanilino)-N-propylbutanamide?
4-amino-3-(3-chloroanilino)-N-propylbutanamide has a molecular weight of 269.78 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-chloroanilino)-N-propylbutanamide is sourced from PubChem (CID 66429319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).