4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride

C14H19ClF2N2O2 — CID 119433396

IUPAC4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
SMILESCNCCCNC(=O)CCC(=O)c1ccc(F)cc1F.Cl
InChIInChI=1S/C14H18F2N2O2.ClH/c1-17-7-2-8-18-14(20)6-5-13(19)11-4-3-10(15)9-12(11)16;/h3-4,9,17H,2,5-8H2,1H3,(H,18,20);1H
InChIKeyGUEXRDNBOMYVOG-UHFFFAOYSA-N
MW320.77 g/mol
LogP2.08
Rot. Bonds8

About 4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride

4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride (PubChem CID 119433396) has the molecular formula C14H19ClF2N2O2 and a molecular weight of 320.77 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
PubChem CID119433396
Molecular FormulaC14H19ClF2N2O2
Molecular Weight320.77 g/mol
Exact Mass320.11
IUPAC Name4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
SMILESCNCCCNC(=O)CCC(=O)c1ccc(F)cc1F.Cl
InChIInChI=1S/C14H18F2N2O2.ClH/c1-17-7-2-8-18-14(20)6-5-13(19)11-4-3-10(15)9-12(11)16;/h3-4,9,17H,2,5-8H2,1H3,(H,18,20);1H
InChIKeyGUEXRDNBOMYVOG-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 52.08
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

4-(3,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119431245
4-(2,5-dimethylthiophen-3-yl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119431451
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
3-acetamidopropyl 4-(2,4-difluorophenyl)-4-oxobutanoate
CID 60589390
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
1-(4-fluoro-2-methylphenyl)-4-(methylamino)butan-1-one
CID 116555760
N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 119524438
3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430545
N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 119588182
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683
1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
CID 82112284
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride (CID 119433396) is 4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride is CNCCCNC(=O)CCC(=O)c1ccc(F)cc1F.Cl.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
The InChIKey is GUEXRDNBOMYVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2.ClH/c1-17-7-2-8-18-14(20)6-5-13(19)11-4-3-10(15)9-12(11)16;/h3-4,9,17H,2,5-8H2,1H3,(H,18,20);1H.
What are the key properties of 4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride?
4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride has a molecular weight of 320.77 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119433396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).