2-(3-chloro-4-methylanilino)-N-propylpropanamide

C13H19ClN2O — CID 43086867

IUPAC2-(3-chloro-4-methylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-4-7-15-13(17)10(3)16-11-6-5-9(2)12(14)8-11/h5-6,8,10,16H,4,7H2,1-3H3,(H,15,17)
InChIKeyKSIJZLRQPCNWEU-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.98
Rot. Bonds5

About 2-(3-chloro-4-methylanilino)-N-propylpropanamide

2-(3-chloro-4-methylanilino)-N-propylpropanamide (PubChem CID 43086867) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N-propylpropanamide
PubChem CID43086867
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-(3-chloro-4-methylanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-4-7-15-13(17)10(3)16-11-6-5-9(2)12(14)8-11/h5-6,8,10,16H,4,7H2,1-3H3,(H,15,17)
InChIKeyKSIJZLRQPCNWEU-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-(3-chloro-4-methylanilino)propanamide
CID 43112915
2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 47112271
2-(3-methyl-4-nitroanilino)-N-propylpropanamide
CID 60969921
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-methylanilino)propanamide
CID 7928483
2-(4-bromo-3-chloroanilino)-N-ethylpropanamide
CID 107620078
5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638820
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-propylpropanamide
CID 43086701
2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
CID 65437335

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N-propylpropanamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N-propylpropanamide (CID 43086867) is 2-(3-chloro-4-methylanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N-propylpropanamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N-propylpropanamide?
The InChIKey is KSIJZLRQPCNWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-7-15-13(17)10(3)16-11-6-5-9(2)12(14)8-11/h5-6,8,10,16H,4,7H2,1-3H3,(H,15,17).
What are the key properties of 2-(3-chloro-4-methylanilino)-N-propylpropanamide?
2-(3-chloro-4-methylanilino)-N-propylpropanamide has a molecular weight of 254.76 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-N-propylpropanamide is sourced from PubChem (CID 43086867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).