4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide

C14H18FNO — CID 103820345

IUPAC4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide
SMILESCc1cc(F)ccc1C(=O)NCC1(C)CCC1
InChIInChI=1S/C14H18FNO/c1-10-8-11(15)4-5-12(10)13(17)16-9-14(2)6-3-7-14/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyUBPDADQOXQLFLS-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.05
Rot. Bonds3

About 4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide

4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide (PubChem CID 103820345) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide
PubChem CID103820345
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide
SMILESCc1cc(F)ccc1C(=O)NCC1(C)CCC1
InChIInChI=1S/C14H18FNO/c1-10-8-11(15)4-5-12(10)13(17)16-9-14(2)6-3-7-14/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyUBPDADQOXQLFLS-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
5-fluoro-2-hydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103739179
N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide
CID 103820451
2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821027
2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide
CID 114107072
2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103765513
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481
5-methyl-2-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzamide
CID 114109568
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162857
4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103722151
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide
CID 113294793

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide (CID 103820345) is 4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide is Cc1cc(F)ccc1C(=O)NCC1(C)CCC1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide?
The InChIKey is UBPDADQOXQLFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-8-11(15)4-5-12(10)13(17)16-9-14(2)6-3-7-14/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide?
4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide has a molecular weight of 235.30 g/mol, XLogP of 3.05, 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-[(1-methylcyclobutyl)methyl]benzamide is sourced from PubChem (CID 103820345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).