4-[(2-chloro-4-methylphenyl)methylamino]butanamide

C12H17ClN2O — CID 106862371

IUPAC4-[(2-chloro-4-methylphenyl)methylamino]butanamide
SMILESCc1ccc(CNCCCC(N)=O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-9-4-5-10(11(13)7-9)8-15-6-2-3-12(14)16/h4-5,7,15H,2-3,6,8H2,1H3,(H2,14,16)
InChIKeyZEONSDNEYXLFIN-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.00
Rot. Bonds6

About 4-[(2-chloro-4-methylphenyl)methylamino]butanamide

4-[(2-chloro-4-methylphenyl)methylamino]butanamide (PubChem CID 106862371) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-[(2-chloro-4-methylphenyl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(2-chloro-4-methylphenyl)methylamino]butanamide
PubChem CID106862371
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-[(2-chloro-4-methylphenyl)methylamino]butanamide
SMILESCc1ccc(CNCCCC(N)=O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-9-4-5-10(11(13)7-9)8-15-6-2-3-12(14)16/h4-5,7,15H,2-3,6,8H2,1H3,(H2,14,16)
InChIKeyZEONSDNEYXLFIN-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2-chloro-4-methylphenyl)methylamino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2-chloro-4-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 106861235
4-[[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]butanamide
CID 102667101
2-[(2-chloro-4-methylphenyl)methylamino]acetic acid
CID 106865112
N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine
CID 106862878
4-[(2-chloro-4-methylphenyl)methylamino]butan-2-ol
CID 106862742
4-[(2-chloro-5-fluorophenyl)methylamino]butanamide
CID 102615506
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106869920
2-[3-[(2-chloro-4-methylphenyl)methylamino]propoxy]ethanol
CID 106309804
5-[[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]pentanamide
CID 106237572
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
methyl 4-[(2,4-dimethylphenyl)methylamino]butanoate
CID 54920507
(2-chloro-4-methylphenyl)methylhydrazine
CID 106860884

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-methylphenyl)methylamino]butanamide?
The IUPAC name of 4-[(2-chloro-4-methylphenyl)methylamino]butanamide (CID 106862371) is 4-[(2-chloro-4-methylphenyl)methylamino]butanamide.
What is the SMILES notation for 4-[(2-chloro-4-methylphenyl)methylamino]butanamide?
The canonical SMILES for 4-[(2-chloro-4-methylphenyl)methylamino]butanamide is Cc1ccc(CNCCCC(N)=O)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-methylphenyl)methylamino]butanamide?
The InChIKey is ZEONSDNEYXLFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-4-5-10(11(13)7-9)8-15-6-2-3-12(14)16/h4-5,7,15H,2-3,6,8H2,1H3,(H2,14,16).
What are the key properties of 4-[(2-chloro-4-methylphenyl)methylamino]butanamide?
4-[(2-chloro-4-methylphenyl)methylamino]butanamide has a molecular weight of 240.73 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-methylphenyl)methylamino]butanamide is sourced from PubChem (CID 106862371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).