3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide

C18H19F2NO — CID 175327917

IUPAC3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide
SMILESCCCCc1cccc(C(=O)NCc2ccccc2F)c1F
InChIInChI=1S/C18H19F2NO/c1-2-3-7-13-9-6-10-15(17(13)20)18(22)21-12-14-8-4-5-11-16(14)19/h4-6,8-11H,2-3,7,12H2,1H3,(H,21,22)
InChIKeyALHVVLHICGANPI-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.24
Rot. Bonds6

About 3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide

3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 175327917) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID175327917
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide
SMILESCCCCc1cccc(C(=O)NCc2ccccc2F)c1F
InChIInChI=1S/C18H19F2NO/c1-2-3-7-13-9-6-10-15(17(13)20)18(22)21-12-14-8-4-5-11-16(14)19/h4-6,8-11H,2-3,7,12H2,1H3,(H,21,22)
InChIKeyALHVVLHICGANPI-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576
2,3-difluoro-N-pentylbenzamide
CID 62649821
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
2-benzoyl-N-[(2-fluorophenyl)methyl]benzamide
CID 9142222

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide (CID 175327917) is 3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide is CCCCc1cccc(C(=O)NCc2ccccc2F)c1F.
What is the InChIKey of 3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is ALHVVLHICGANPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c1-2-3-7-13-9-6-10-15(17(13)20)18(22)21-12-14-8-4-5-11-16(14)19/h4-6,8-11H,2-3,7,12H2,1H3,(H,21,22).
What are the key properties of 3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide?
3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 303.35 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 175327917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).