3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide

C15H19F2NO3 — CID 59356128

IUPAC3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
SMILESCOc1c(F)cc(C(=O)NCC2(O)CCCCC2)cc1F
InChIInChI=1S/C15H19F2NO3/c1-21-13-11(16)7-10(8-12(13)17)14(19)18-9-15(20)5-3-2-4-6-15/h7-8,20H,2-6,9H2,1H3,(H,18,19)
InChIKeyHSEFFLQCQAHEAO-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.40
Rot. Bonds4

About 3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide

3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide (PubChem CID 59356128) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
PubChem CID59356128
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
SMILESCOc1c(F)cc(C(=O)NCC2(O)CCCCC2)cc1F
InChIInChI=1S/C15H19F2NO3/c1-21-13-11(16)7-10(8-12(13)17)14(19)18-9-15(20)5-3-2-4-6-15/h7-8,20H,2-6,9H2,1H3,(H,18,19)
InChIKeyHSEFFLQCQAHEAO-UHFFFAOYSA-N
XLogP2.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 64866551
N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide
CID 115643433
4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide
CID 111435956
4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64865903
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
2,4,6-trifluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123538
4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide
CID 111539575
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
CID 111660763
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
CID 103970179
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
N-[(1-cyanocyclohexyl)methyl]-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 87366928
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
The IUPAC name of 3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide (CID 59356128) is 3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide is COc1c(F)cc(C(=O)NCC2(O)CCCCC2)cc1F.
What is the InChIKey of 3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
The InChIKey is HSEFFLQCQAHEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-21-13-11(16)7-10(8-12(13)17)14(19)18-9-15(20)5-3-2-4-6-15/h7-8,20H,2-6,9H2,1H3,(H,18,19).
What are the key properties of 3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide?
3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide has a molecular weight of 299.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 59356128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).