2-fluoro-N-(4-methylpentan-2-yl)benzamide

C13H18FNO — CID 3729415

IUPAC2-fluoro-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO/c1-9(2)8-10(3)15-13(16)11-6-4-5-7-12(11)14/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyZCTANYNBUOFDRA-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.99
Rot. Bonds4

About 2-fluoro-N-(4-methylpentan-2-yl)benzamide

2-fluoro-N-(4-methylpentan-2-yl)benzamide (PubChem CID 3729415) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-fluoro-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methylpentan-2-yl)benzamide
PubChem CID3729415
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-fluoro-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO/c1-9(2)8-10(3)15-13(16)11-6-4-5-7-12(11)14/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyZCTANYNBUOFDRA-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylpentan-2-ylcarbamoyl)benzoic acid
CID 43529160
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 61146087
methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate
CID 95575620
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 51891666
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 115662245
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
N-(2-amino-4-methylpentyl)-2-fluorobenzamide
CID 107158830
N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9402546
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
CID 3713730

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(4-methylpentan-2-yl)benzamide (CID 3729415) is 2-fluoro-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is ZCTANYNBUOFDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(2)8-10(3)15-13(16)11-6-4-5-7-12(11)14/h4-7,9-10H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-fluoro-N-(4-methylpentan-2-yl)benzamide?
2-fluoro-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 223.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 3729415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).