3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide

C14H15FN4O2 — CID 111539721

IUPAC3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NCC1(O)CCC1)c1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C14H15FN4O2/c15-11-6-10(2-3-12(11)19-9-16-8-18-19)13(20)17-7-14(21)4-1-5-14/h2-3,6,8-9,21H,1,4-5,7H2,(H,17,20)
InChIKeyWSOIKXWYDBTLGQ-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.05
Rot. Bonds4

About 3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide

3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 111539721) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID111539721
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NCC1(O)CCC1)c1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C14H15FN4O2/c15-11-6-10(2-3-12(11)19-9-16-8-18-19)13(20)17-7-14(21)4-1-5-14/h2-3,6,8-9,21H,1,4-5,7H2,(H,17,20)
InChIKeyWSOIKXWYDBTLGQ-UHFFFAOYSA-N
XLogP1.05
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-3-fluoro-4-(1,2,4-triazol-1-yl)benzamide
CID 111477494
4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64865903
1-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butan-1-one
CID 91447170
3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 154799316
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 55813227
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
CID 111660763
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide
CID 111539575
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123
1-(4-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclobutane-1-carboxamide
CID 60574044
1-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119293738
3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 52660649

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 111539721) is 3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide is O=C(NCC1(O)CCC1)c1ccc(-n2cncn2)c(F)c1.
What is the InChIKey of 3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is WSOIKXWYDBTLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-11-6-10(2-3-12(11)19-9-16-8-18-19)13(20)17-7-14(21)4-1-5-14/h2-3,6,8-9,21H,1,4-5,7H2,(H,17,20).
What are the key properties of 3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 290.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-hydroxycyclobutyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 111539721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).