4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide

C14H18F2N2O — CID 115150554

IUPAC4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(N)CC1)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O/c1-18(13-7-4-10(15)8-12(13)16)14(19)9-2-5-11(17)6-3-9/h4,7-9,11H,2-3,5-6,17H2,1H3
InChIKeyRKUKJCFFTODGOC-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.45
Rot. Bonds2

About 4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide

4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 115150554) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide
PubChem CID115150554
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(N)CC1)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O/c1-18(13-7-4-10(15)8-12(13)16)14(19)9-2-5-11(17)6-3-9/h4,7-9,11H,2-3,5-6,17H2,1H3
InChIKeyRKUKJCFFTODGOC-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide (CID 115150554) is 4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide is CN(C(=O)C1CCC(N)CC1)c1ccc(F)cc1F.
What is the InChIKey of 4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is RKUKJCFFTODGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-18(13-7-4-10(15)8-12(13)16)14(19)9-2-5-11(17)6-3-9/h4,7-9,11H,2-3,5-6,17H2,1H3.
What are the key properties of 4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide?
4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115150554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).