N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide

C14H18F2N2O — CID 115150615

IUPACN-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H18F2N2O/c1-17-11-5-2-9(3-6-11)14(19)18-13-7-4-10(15)8-12(13)16/h4,7-9,11,17H,2-3,5-6H2,1H3,(H,18,19)
InChIKeyWZZKNSUJTUHJEE-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.68
Rot. Bonds3

About N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide

N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide (PubChem CID 115150615) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
PubChem CID115150615
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
SMILESCNC1CCC(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H18F2N2O/c1-17-11-5-2-9(3-6-11)14(19)18-13-7-4-10(15)8-12(13)16/h4,7-9,11,17H,2-3,5-6H2,1H3,(H,18,19)
InChIKeyWZZKNSUJTUHJEE-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
cis-(1S,3R)-3-[(2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091643
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 9209463
N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31783205
1-N,2-N-bis(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144111
4-N-(2,4-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149008
N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147669
5-(cyclopropanecarbonylamino)-N-(2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 24605307
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
N-(2,4-difluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47080331
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide (CID 115150615) is N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide is CNC1CCC(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is WZZKNSUJTUHJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-17-11-5-2-9(3-6-11)14(19)18-13-7-4-10(15)8-12(13)16/h4,7-9,11,17H,2-3,5-6H2,1H3,(H,18,19).
What are the key properties of N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide?
N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 115150615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).