4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride

C14H20Cl2N2O2 — CID 119432701

IUPAC4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
SMILESCNCCCNC(=O)CCC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-16-9-2-10-17-14(19)8-7-13(18)11-3-5-12(15)6-4-11;/h3-6,16H,2,7-10H2,1H3,(H,17,19);1H
InChIKeyMJBXACCKZDPKKE-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.45
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride

4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride (PubChem CID 119432701) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
PubChem CID119432701
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
SMILESCNCCCNC(=O)CCC(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-16-9-2-10-17-14(19)8-7-13(18)11-3-5-12(15)6-4-11;/h3-6,16H,2,7-10H2,1H3,(H,17,19);1H
InChIKeyMJBXACCKZDPKKE-UHFFFAOYSA-N
XLogP2.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
4-(3,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119431245
N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119384394
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide
CID 110307812
4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide
CID 110618107
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
N-(2-amino-2-methylpropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119629073
4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
CID 134039930

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride (CID 119432701) is 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride is CNCCCNC(=O)CCC(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
The InChIKey is MJBXACCKZDPKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2.ClH/c1-16-9-2-10-17-14(19)8-7-13(18)11-3-5-12(15)6-4-11;/h3-6,16H,2,7-10H2,1H3,(H,17,19);1H.
What are the key properties of 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride has a molecular weight of 319.23 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119432701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).