4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide

C13H16FNO — CID 115745696

IUPAC4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCc1cc(F)ccc1C(=O)NCC1CC1C
InChIInChI=1S/C13H16FNO/c1-8-5-10(8)7-15-13(16)12-4-3-11(14)6-9(12)2/h3-4,6,8,10H,5,7H2,1-2H3,(H,15,16)
InChIKeyKTEQOKKZGSEARE-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.52
Rot. Bonds3

About 4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide

4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide (PubChem CID 115745696) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
PubChem CID115745696
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCc1cc(F)ccc1C(=O)NCC1CC1C
InChIInChI=1S/C13H16FNO/c1-8-5-10(8)7-15-13(16)12-4-3-11(14)6-9(12)2/h3-4,6,8,10H,5,7H2,1-2H3,(H,15,16)
InChIKeyKTEQOKKZGSEARE-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
CID 112702559
N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide
CID 103820451
4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide
CID 115745605
N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide
CID 115745580
2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide
CID 107035038
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115597703
N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 113268698
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide
CID 112702550
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide
CID 103706830
4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103820345

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide (CID 115745696) is 4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide is Cc1cc(F)ccc1C(=O)NCC1CC1C.
What is the InChIKey of 4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The InChIKey is KTEQOKKZGSEARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-8-5-10(8)7-15-13(16)12-4-3-11(14)6-9(12)2/h3-4,6,8,10H,5,7H2,1-2H3,(H,15,16).
What are the key properties of 4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide has a molecular weight of 221.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 115745696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).