N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride

C13H20Cl2N2O — CID 119685501

IUPACN-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-10(11-5-7-12(14)8-6-11)16-13(17)4-3-9-15-2;/h5-8,10,15H,3-4,9H2,1-2H3,(H,16,17);1H
InChIKeyHDSYPGRTYOBYAD-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.94
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride

N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119685501) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119685501
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-10(11-5-7-12(14)8-6-11)16-13(17)4-3-9-15-2;/h5-8,10,15H,3-4,9H2,1-2H3,(H,16,17);1H
InChIKeyHDSYPGRTYOBYAD-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride 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-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119753158
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81354540
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
CID 81352741
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 81372625
4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119815204
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
CID 81354657
4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide
CID 119721996
sodium 4-[1-(4-chlorophenyl)ethylamino]-4-oxobutanoate
CID 154832871

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride (CID 119685501) is N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NC(C)c1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is HDSYPGRTYOBYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-10(11-5-7-12(14)8-6-11)16-13(17)4-3-9-15-2;/h5-8,10,15H,3-4,9H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride?
N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119685501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).