2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide

C13H20ClN3O — CID 112740863

IUPAC2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1c(N)ccc(Cl)c1C
InChIInChI=1S/C13H20ClN3O/c1-4-7-16-13(18)9(3)17-12-8(2)10(14)5-6-11(12)15/h5-6,9,17H,4,7,15H2,1-3H3,(H,16,18)
InChIKeyYKDOZSMZCKNIDH-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.56
Rot. Bonds5

About 2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide

2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide (PubChem CID 112740863) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide
PubChem CID112740863
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1c(N)ccc(Cl)c1C
InChIInChI=1S/C13H20ClN3O/c1-4-7-16-13(18)9(3)17-12-8(2)10(14)5-6-11(12)15/h5-6,9,17H,4,7,15H2,1-3H3,(H,16,18)
InChIKeyYKDOZSMZCKNIDH-UHFFFAOYSA-N
XLogP2.56
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
2-(2-chloro-6-nitroanilino)-N-propylpropanamide
CID 62085502
ethyl 4-amino-3-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzoate
CID 82776751
2-[2-chloro-4-(trifluoromethyl)anilino]-N-propylpropanamide
CID 63668958
2-(3-amino-5-methylanilino)-N-propylpropanamide
CID 112647452
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 114049769
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
2-(2-cyano-6-methylanilino)-N-propylpropanamide
CID 107106624
2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476340
2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 43226780
3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82988580
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide?
The IUPAC name of 2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide (CID 112740863) is 2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide?
The canonical SMILES for 2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1c(N)ccc(Cl)c1C.
What is the InChIKey of 2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide?
The InChIKey is YKDOZSMZCKNIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-7-16-13(18)9(3)17-12-8(2)10(14)5-6-11(12)15/h5-6,9,17H,4,7,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide?
2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide has a molecular weight of 269.78 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-chloro-2-methylanilino)-N-propylpropanamide is sourced from PubChem (CID 112740863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).