2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide

C18H20FNO — CID 62947552

IUPAC2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide
SMILESCc1ccc(F)c(C(=O)NCCC(C)c2ccccc2)c1
InChIInChI=1S/C18H20FNO/c1-13-8-9-17(19)16(12-13)18(21)20-11-10-14(2)15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)
InChIKeyHHLFFOLEKUBRHC-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.06
Rot. Bonds5

About 2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide

2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide (PubChem CID 62947552) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide
PubChem CID62947552
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide
SMILESCc1ccc(F)c(C(=O)NCCC(C)c2ccccc2)c1
InChIInChI=1S/C18H20FNO/c1-13-8-9-17(19)16(12-13)18(21)20-11-10-14(2)15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,20,21)
InChIKeyHHLFFOLEKUBRHC-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-5-methyl-N-(3-phenylbutyl)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-bromo-5-methyl-N-(3-phenylbutyl)benzamide
CID 80999630
(2S)-4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 114006664
4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832609
2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659559
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
CID 115646100
N-(3-phenylbutyl)-2-sulfanylbenzamide
CID 107028920
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
N-(3-phenylbutyl)benzamide
CID 62403316
4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid
CID 62514075
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide
CID 63525833

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide (CID 62947552) is 2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide is Cc1ccc(F)c(C(=O)NCCC(C)c2ccccc2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide?
The InChIKey is HHLFFOLEKUBRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13-8-9-17(19)16(12-13)18(21)20-11-10-14(2)15-6-4-3-5-7-15/h3-9,12,14H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide?
2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide has a molecular weight of 285.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide is sourced from PubChem (CID 62947552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).