N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide

C15H21FN2O2 — CID 106123955

IUPACN-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCC(N)C2)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-20-12-5-6-13(14(16)8-12)15(19)18-9-10-3-2-4-11(17)7-10/h5-6,8,10-11H,2-4,7,9,17H2,1H3,(H,18,19)
InChIKeyFVJBTOJZACWAKU-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.08
Rot. Bonds4

About N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide

N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide (PubChem CID 106123955) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
PubChem CID106123955
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCC(N)C2)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-20-12-5-6-13(14(16)8-12)15(19)18-9-10-3-2-4-11(17)7-10/h5-6,8,10-11H,2-4,7,9,17H2,1H3,(H,18,19)
InChIKeyFVJBTOJZACWAKU-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106123339
N-[(3-bromocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106128879
2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 113228962
2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 113222377
N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 102885202
N-[(3-chlorocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106132134
N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
CID 106123375
2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 102882104
(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103397145
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
N-(2-aminocyclopropyl)-2-fluoro-4-methoxybenzamide
CID 103804989
N-[(3-aminocyclohexyl)methyl]-2,4,6-trifluorobenzamide
CID 106123128

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide (CID 106123955) is N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCC2CCCC(N)C2)c(F)c1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide?
The InChIKey is FVJBTOJZACWAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-20-12-5-6-13(14(16)8-12)15(19)18-9-10-3-2-4-11(17)7-10/h5-6,8,10-11H,2-4,7,9,17H2,1H3,(H,18,19).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide?
N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 106123955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).