2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide

C16H23FN2O — CID 81421882

IUPAC2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide
SMILESCC1(C)CCCC(NCC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C16H23FN2O/c1-16(2)8-4-7-14(10-16)18-11-15(20)19-13-6-3-5-12(17)9-13/h3,5-6,9,14,18H,4,7-8,10-11H2,1-2H3,(H,19,20)
InChIKeyJYXCONHLWMWEFE-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.32
Rot. Bonds4

About 2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide

2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide (PubChem CID 81421882) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide
PubChem CID81421882
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide
SMILESCC1(C)CCCC(NCC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C16H23FN2O/c1-16(2)8-4-7-14(10-16)18-11-15(20)19-13-6-3-5-12(17)9-13/h3,5-6,9,14,18H,4,7-8,10-11H2,1-2H3,(H,19,20)
InChIKeyJYXCONHLWMWEFE-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,3-dimethylcyclopentyl)amino]-N-(3-methylphenyl)acetamide
CID 114546053
N-(3-fluorophenyl)-2-[(3-methylcyclohexyl)amino]acetamide
CID 43317890
3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63044439
2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide
CID 43615218
2-(cyclopentylamino)-N-(3,5-difluorophenyl)acetamide
CID 60703396
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
N-(3-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430420
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
2-[(2,2-dimethyloxan-4-yl)amino]-N-phenylacetamide
CID 83033070

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide (CID 81421882) is 2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide is CC1(C)CCCC(NCC(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of 2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide?
The InChIKey is JYXCONHLWMWEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-16(2)8-4-7-14(10-16)18-11-15(20)19-13-6-3-5-12(17)9-13/h3,5-6,9,14,18H,4,7-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide?
2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide has a molecular weight of 278.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclohexyl)amino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 81421882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).