4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride

C14H21Cl3N2O — CID 119432244

IUPAC4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
SMILESCNCCCNC(=O)CCCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H20Cl2N2O.ClH/c1-17-8-3-9-18-14(19)5-2-4-11-6-7-12(15)13(16)10-11;/h6-7,10,17H,2-5,8-9H2,1H3,(H,18,19);1H
InChIKeyXYLSOJGFOIHBPO-UHFFFAOYSA-N
MW339.69 g/mol
LogP3.46
Rot. Bonds8

About 4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride

4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride (PubChem CID 119432244) has the molecular formula C14H21Cl3N2O and a molecular weight of 339.69 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
PubChem CID119432244
Molecular FormulaC14H21Cl3N2O
Molecular Weight339.69 g/mol
Exact Mass338.07
IUPAC Name4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
SMILESCNCCCNC(=O)CCCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H20Cl2N2O.ClH/c1-17-8-3-9-18-14(19)5-2-4-11-6-7-12(15)13(16)10-11;/h6-7,10,17H,2-5,8-9H2,1H3,(H,18,19);1H
InChIKeyXYLSOJGFOIHBPO-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.69
LogP ≤ 53.46
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

N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide
CID 47286286
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
CID 119628605
N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide
CID 123145328
6-(3,4-dichlorophenyl)-N-methylhexan-1-amine
CID 65308866
4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 55883971
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508
N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide
CID 78894551

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride (CID 119432244) is 4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride is CNCCCNC(=O)CCCc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The InChIKey is XYLSOJGFOIHBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O.ClH/c1-17-8-3-9-18-14(19)5-2-4-11-6-7-12(15)13(16)10-11;/h6-7,10,17H,2-5,8-9H2,1H3,(H,18,19);1H.
What are the key properties of 4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride has a molecular weight of 339.69 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride is sourced from PubChem (CID 119432244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).