N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide

C14H18FNO — CID 103820451

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCC1CC1(C)C
InChIInChI=1S/C14H18FNO/c1-9-6-11(15)4-5-12(9)13(17)16-8-10-7-14(10,2)3/h4-6,10H,7-8H2,1-3H3,(H,16,17)
InChIKeyCQCNWWZNKWGLDP-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.91
Rot. Bonds3

About N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide

N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide (PubChem CID 103820451) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide
PubChem CID103820451
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCC1CC1(C)C
InChIInChI=1S/C14H18FNO/c1-9-6-11(15)4-5-12(9)13(17)16-8-10-7-14(10,2)3/h4-6,10H,7-8H2,1-3H3,(H,16,17)
InChIKeyCQCNWWZNKWGLDP-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide
CID 114109638
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696
4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide
CID 115745605
4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103820345
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide
CID 112702550
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
CID 112702559
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
N-[(2,2-dimethylcyclopropyl)methyl]-3,4,5-trifluorobenzamide
CID 113234698
N-(1-adamantyl)-4-fluoro-2-methylbenzamide
CID 115745078
N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide
CID 112702497
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide
CID 115745580

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide (CID 103820451) is N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)NCC1CC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide?
The InChIKey is CQCNWWZNKWGLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9-6-11(15)4-5-12(9)13(17)16-8-10-7-14(10,2)3/h4-6,10H,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide?
N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide has a molecular weight of 235.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 103820451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).