N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide

C15H21FN2O2 — CID 119474491

IUPACN-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCC(N)CC2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-20-14-7-2-10(8-13(14)16)9-15(19)18-12-5-3-11(17)4-6-12/h2,7-8,11-12H,3-6,9,17H2,1H3,(H,18,19)
InChIKeyKMALTNJKSOBVIW-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.76
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide

N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide (PubChem CID 119474491) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
PubChem CID119474491
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCC(N)CC2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-20-14-7-2-10(8-13(14)16)9-15(19)18-12-5-3-11(17)4-6-12/h2,7-8,11-12H,3-6,9,17H2,1H3,(H,18,19)
InChIKeyKMALTNJKSOBVIW-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667447
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
N-(4-aminocyclohexyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119476462
4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609621
1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 116557505
N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119609283
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667196
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667346
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667519

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide (CID 119474491) is N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC2CCC(N)CC2)cc1F.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The InChIKey is KMALTNJKSOBVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-20-14-7-2-10(8-13(14)16)9-15(19)18-12-5-3-11(17)4-6-12/h2,7-8,11-12H,3-6,9,17H2,1H3,(H,18,19).
What are the key properties of N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide has a molecular weight of 280.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 119474491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).