N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide

C13H16FNO2 — CID 79882440

IUPACN-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
SMILESCN(CC1CCC1)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H16FNO2/c1-15(8-9-3-2-4-9)13(17)11-7-10(14)5-6-12(11)16/h5-7,9,16H,2-4,8H2,1H3
InChIKeyDGQQIPRHDQQHJI-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.40
Rot. Bonds3

About N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide

N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide (PubChem CID 79882440) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
PubChem CID79882440
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
SMILESCN(CC1CCC1)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H16FNO2/c1-15(8-9-3-2-4-9)13(17)11-7-10(14)5-6-12(11)16/h5-7,9,16H,2-4,8H2,1H3
InChIKeyDGQQIPRHDQQHJI-UHFFFAOYSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 62861010
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144
N-(cyclobutylmethyl)-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65389043
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
CID 113347161
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-hydroxybenzamide
CID 107399082
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide (CID 79882440) is N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide is CN(CC1CCC1)C(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
The InChIKey is DGQQIPRHDQQHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15(8-9-3-2-4-9)13(17)11-7-10(14)5-6-12(11)16/h5-7,9,16H,2-4,8H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide?
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide has a molecular weight of 237.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 79882440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).