3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide

C12H13F2NO2 — CID 115878348

IUPAC3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
SMILESO=C(NC1(CO)CCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO2/c13-9-3-2-8(6-10(9)14)11(17)15-12(7-16)4-1-5-12/h2-3,6,16H,1,4-5,7H2,(H,15,17)
InChIKeyNRBCVTHDBBPKQQ-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.61
Rot. Bonds3

About 3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide

3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide (PubChem CID 115878348) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
PubChem CID115878348
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
SMILESO=C(NC1(CO)CCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO2/c13-9-3-2-8(6-10(9)14)11(17)15-12(7-16)4-1-5-12/h2-3,6,16H,1,4-5,7H2,(H,15,17)
InChIKeyNRBCVTHDBBPKQQ-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 63186841
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 63186883
4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide
CID 62517569
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]-3-nitrobenzamide
CID 62520955
2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982
N-[1-(hydroxymethyl)cyclobutyl]-2H-benzotriazole-5-carboxamide
CID 115878496
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155
N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62518437
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119567983

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide (CID 115878348) is 3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide is O=C(NC1(CO)CCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
The InChIKey is NRBCVTHDBBPKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-9-3-2-8(6-10(9)14)11(17)15-12(7-16)4-1-5-12/h2-3,6,16H,1,4-5,7H2,(H,15,17).
What are the key properties of 3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide?
3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide has a molecular weight of 241.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide is sourced from PubChem (CID 115878348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).