N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide

C18H18F2N2O2 — CID 29414441

IUPACN-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NCc1ccccc1
InChIInChI=1S/C18H18F2N2O2/c19-14-8-9-15(16(20)11-14)18(24)21-10-4-7-17(23)22-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,21,24)(H,22,23)
InChIKeyVHWYLBOJBLJNLB-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.79
Rot. Bonds7

About N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide

N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide (PubChem CID 29414441) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
PubChem CID29414441
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC NameN-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NCc1ccccc1
InChIInChI=1S/C18H18F2N2O2/c19-14-8-9-15(16(20)11-14)18(24)21-10-4-7-17(23)22-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,21,24)(H,22,23)
InChIKeyVHWYLBOJBLJNLB-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.79
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

2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 46424834
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
(2R)-2-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]-3-phenylpropanoic acid
CID 119367087
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 51192543
N-[4-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55800405
2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
CID 30779997
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 29478462
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-[(2,4-difluorobenzoyl)amino]butanoate
CID 30319864
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
CID 51312310
N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 35929500
N-[4-[3-(ethylaminomethyl)anilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 119438363

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide (CID 29414441) is N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide is O=C(CCCNC(=O)c1ccc(F)cc1F)NCc1ccccc1.
What is the InChIKey of N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide?
The InChIKey is VHWYLBOJBLJNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-14-8-9-15(16(20)11-14)18(24)21-10-4-7-17(23)22-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,21,24)(H,22,23).
What are the key properties of N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide?
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide has a molecular weight of 332.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide is sourced from PubChem (CID 29414441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).