2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide

C18H17F3N2O2 — CID 46424834

IUPAC2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NCc1cccc(F)c1
InChIInChI=1S/C18H17F3N2O2/c19-13-4-1-3-12(9-13)11-23-17(24)5-2-8-22-18(25)15-7-6-14(20)10-16(15)21/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,22,25)(H,23,24)
InChIKeyBCDDGRQUPROICW-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.93
Rot. Bonds7

About 2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide

2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide (PubChem CID 46424834) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
PubChem CID46424834
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NCc1cccc(F)c1
InChIInChI=1S/C18H17F3N2O2/c19-13-4-1-3-12(9-13)11-23-17(24)5-2-8-22-18(25)15-7-6-14(20)10-16(15)21/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,22,25)(H,23,24)
InChIKeyBCDDGRQUPROICW-UHFFFAOYSA-N
XLogP2.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.93
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-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
N-[4-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55800405
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 51192543
N-[4-[3-(ethylaminomethyl)anilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 119438363
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529
(2R)-2-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]-3-phenylpropanoic acid
CID 119367087
2,4-difluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292194
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
N-[4-(3-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942
N-[(3-aminophenyl)methyl]-2,4-difluorobenzamide
CID 62499463
N-[4-(3-chloroanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30449515

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide (CID 46424834) is 2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccc(F)cc1F)NCc1cccc(F)c1.
What is the InChIKey of 2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide?
The InChIKey is BCDDGRQUPROICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-13-4-1-3-12(9-13)11-23-17(24)5-2-8-22-18(25)15-7-6-14(20)10-16(15)21/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,22,25)(H,23,24).
What are the key properties of 2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 46424834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).