N-butyl-2-(3-chloro-4-methylanilino)propanamide

C14H21ClN2O — CID 43112915

IUPACN-butyl-2-(3-chloro-4-methylanilino)propanamide
SMILESCCCCNC(=O)C(C)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-4-5-8-16-14(18)11(3)17-12-7-6-10(2)13(15)9-12/h6-7,9,11,17H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyHUXDRXXIYXJRCF-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.37
Rot. Bonds6

About N-butyl-2-(3-chloro-4-methylanilino)propanamide

N-butyl-2-(3-chloro-4-methylanilino)propanamide (PubChem CID 43112915) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-butyl-2-(3-chloro-4-methylanilino)propanamide.

Molecular Properties

Compound NameN-butyl-2-(3-chloro-4-methylanilino)propanamide
PubChem CID43112915
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-butyl-2-(3-chloro-4-methylanilino)propanamide
SMILESCCCCNC(=O)C(C)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-4-5-8-16-14(18)11(3)17-12-7-6-10(2)13(15)9-12/h6-7,9,11,17H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyHUXDRXXIYXJRCF-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.37
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

2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
N-butyl-2-(4-chloroanilino)propanamide
CID 43112925
2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 47112271
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250
1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043760
N-butyl-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide
CID 43113642
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-chloro-4-methylanilino)propanamide
CID 7928483
2-(4-bromo-3-chloroanilino)-N-ethylpropanamide
CID 107620078
N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60720263
N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-chloro-4-methylanilino)propanamide?
The IUPAC name of N-butyl-2-(3-chloro-4-methylanilino)propanamide (CID 43112915) is N-butyl-2-(3-chloro-4-methylanilino)propanamide.
What is the SMILES notation for N-butyl-2-(3-chloro-4-methylanilino)propanamide?
The canonical SMILES for N-butyl-2-(3-chloro-4-methylanilino)propanamide is CCCCNC(=O)C(C)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-butyl-2-(3-chloro-4-methylanilino)propanamide?
The InChIKey is HUXDRXXIYXJRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-5-8-16-14(18)11(3)17-12-7-6-10(2)13(15)9-12/h6-7,9,11,17H,4-5,8H2,1-3H3,(H,16,18).
What are the key properties of N-butyl-2-(3-chloro-4-methylanilino)propanamide?
N-butyl-2-(3-chloro-4-methylanilino)propanamide has a molecular weight of 268.79 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-chloro-4-methylanilino)propanamide is sourced from PubChem (CID 43112915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).