4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide

C14H18FNO3 — CID 111539575

IUPAC4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cc(C(=O)NCC2(O)CCC2)ccc1F
InChIInChI=1S/C14H18FNO3/c1-19-8-11-7-10(3-4-12(11)15)13(17)16-9-14(18)5-2-6-14/h3-4,7,18H,2,5-6,8-9H2,1H3,(H,16,17)
InChIKeyDCFLVGQGIDPBEB-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.62
Rot. Bonds5

About 4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide

4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide (PubChem CID 111539575) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide
PubChem CID111539575
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cc(C(=O)NCC2(O)CCC2)ccc1F
InChIInChI=1S/C14H18FNO3/c1-19-8-11-7-10(3-4-12(11)15)13(17)16-9-14(18)5-2-6-14/h3-4,7,18H,2,5-6,8-9H2,1H3,(H,16,17)
InChIKeyDCFLVGQGIDPBEB-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide
CID 111435956
1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426880
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123
3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 59356128
4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64865903
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]-3-methylbenzamide
CID 111484729
3-bromo-4-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107952526
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
CID 111660763
N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide
CID 115643433
4-bromo-3-hydroxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 103830618
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide?
The IUPAC name of 4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide (CID 111539575) is 4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide is COCc1cc(C(=O)NCC2(O)CCC2)ccc1F.
What is the InChIKey of 4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide?
The InChIKey is DCFLVGQGIDPBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-19-8-11-7-10(3-4-12(11)15)13(17)16-9-14(18)5-2-6-14/h3-4,7,18H,2,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of 4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide?
4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide has a molecular weight of 267.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 111539575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).