N-butyl-2-(4-chloroanilino)propanamide

C13H19ClN2O — CID 43112925

IUPACN-butyl-2-(4-chloroanilino)propanamide
SMILESCCCCNC(=O)C(C)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-3-4-9-15-13(17)10(2)16-12-7-5-11(14)6-8-12/h5-8,10,16H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyHPTDYWZQQIRSMC-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.06
Rot. Bonds6

About N-butyl-2-(4-chloroanilino)propanamide

N-butyl-2-(4-chloroanilino)propanamide (PubChem CID 43112925) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-butyl-2-(4-chloroanilino)propanamide.

Molecular Properties

Compound NameN-butyl-2-(4-chloroanilino)propanamide
PubChem CID43112925
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-butyl-2-(4-chloroanilino)propanamide
SMILESCCCCNC(=O)C(C)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-3-4-9-15-13(17)10(2)16-12-7-5-11(14)6-8-12/h5-8,10,16H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyHPTDYWZQQIRSMC-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(3-chloro-4-methylanilino)propanamide
CID 43112915
N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025
N-butyl-2-(4-chloro-2-fluoroanilino)propanamide
CID 60721606
N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60720263
ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate
CID 60542297
2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
CID 25346914
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250
N-butyl-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide
CID 43113642
2-(4-methylsulfanylanilino)-N-propylpropanamide
CID 43088199

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-chloroanilino)propanamide?
The IUPAC name of N-butyl-2-(4-chloroanilino)propanamide (CID 43112925) is N-butyl-2-(4-chloroanilino)propanamide.
What is the SMILES notation for N-butyl-2-(4-chloroanilino)propanamide?
The canonical SMILES for N-butyl-2-(4-chloroanilino)propanamide is CCCCNC(=O)C(C)Nc1ccc(Cl)cc1.
What is the InChIKey of N-butyl-2-(4-chloroanilino)propanamide?
The InChIKey is HPTDYWZQQIRSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-4-9-15-13(17)10(2)16-12-7-5-11(14)6-8-12/h5-8,10,16H,3-4,9H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-2-(4-chloroanilino)propanamide?
N-butyl-2-(4-chloroanilino)propanamide has a molecular weight of 254.76 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-chloroanilino)propanamide is sourced from PubChem (CID 43112925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).