(1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone

C14H17F2NO — CID 116579252

IUPAC(1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone
SMILESCC1CCCC(N)(C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C14H17F2NO/c1-9-3-2-6-14(17,8-9)13(18)11-5-4-10(15)7-12(11)16/h4-5,7,9H,2-3,6,8,17H2,1H3
InChIKeyFJQVMSXLQMDINE-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.06
Rot. Bonds2

About (1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone

(1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone (PubChem CID 116579252) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone
PubChem CID116579252
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name(1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone
SMILESCC1CCCC(N)(C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C14H17F2NO/c1-9-3-2-6-14(17,8-9)13(18)11-5-4-10(15)7-12(11)16/h4-5,7,9H,2-3,6,8,17H2,1H3
InChIKeyFJQVMSXLQMDINE-UHFFFAOYSA-N
XLogP3.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone
CID 116579350
1-amino-N-(4-fluoro-2-nitrophenyl)-3-methylcyclohexane-1-carboxamide
CID 64551080
1-[(2,4-difluorobenzoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290502
1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide
CID 64555084
1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64548793
(2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone
CID 103447921
(1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone
CID 116598341
(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone
CID 116558686
(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523783
1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 103585988
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-chlorobenzoic acid
CID 64555277

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone (CID 116579252) is (1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone is CC1CCCC(N)(C(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone?
The InChIKey is FJQVMSXLQMDINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-9-3-2-6-14(17,8-9)13(18)11-5-4-10(15)7-12(11)16/h4-5,7,9H,2-3,6,8,17H2,1H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone?
(1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone has a molecular weight of 253.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 116579252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).