4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide

C14H21ClN2O — CID 174351347

IUPAC4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
SMILESCNCCCNC(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-16-10-3-11-17-14(18)5-2-4-12-6-8-13(15)9-7-12/h6-9,16H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyRLDIPGVZIRKHPZ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.39
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide

4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide (PubChem CID 174351347) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
PubChem CID174351347
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
SMILESCNCCCNC(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-16-10-3-11-17-14(18)5-2-4-12-6-8-13(15)9-7-12/h6-9,16H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyRLDIPGVZIRKHPZ-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]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-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
6-[4-(4-chlorophenyl)butanoylamino]-2-propan-2-ylhexanoic acid
CID 170776958
N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
CID 110309420
4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide
CID 70785091
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide
CID 82354216

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide (CID 174351347) is 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide is CNCCCNC(=O)CCCc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide?
The InChIKey is RLDIPGVZIRKHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16-10-3-11-17-14(18)5-2-4-12-6-8-13(15)9-7-12/h6-9,16H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide?
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide has a molecular weight of 268.79 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide is sourced from PubChem (CID 174351347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).