1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide

C20H18F4N2O2 — CID 26722049

IUPAC1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCC(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H18F4N2O2/c21-13-5-7-17(15(23)9-13)25-19(27)11-1-2-12(4-3-11)20(28)26-18-8-6-14(22)10-16(18)24/h5-12H,1-4H2,(H,25,27)(H,26,28)
InChIKeyABJVTSGBOOZJSW-UHFFFAOYSA-N
MW394.37 g/mol
LogP4.63
Rot. Bonds4

About 1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide

1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 26722049) has the molecular formula C20H18F4N2O2 and a molecular weight of 394.37 g/mol. Its IUPAC name is 1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
PubChem CID26722049
Molecular FormulaC20H18F4N2O2
Molecular Weight394.37 g/mol
Exact Mass394.13
IUPAC Name1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCC(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H18F4N2O2/c21-13-5-7-17(15(23)9-13)25-19(27)11-1-2-12(4-3-11)20(28)26-18-8-6-14(22)10-16(18)24/h5-12H,1-4H2,(H,25,27)(H,26,28)
InChIKeyABJVTSGBOOZJSW-UHFFFAOYSA-N
XLogP4.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150615
cis-(1S,3R)-3-[(2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091643
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)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31783205
N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147669
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
tert-butyl 4-[(2,4-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 9209463
N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide
CID 109150603
5-(cyclopropanecarbonylamino)-N-(2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 24605307
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide
CID 82034301
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide (CID 26722049) is 1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide is O=C(Nc1ccc(F)cc1F)C1CCC(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is ABJVTSGBOOZJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O2/c21-13-5-7-17(15(23)9-13)25-19(27)11-1-2-12(4-3-11)20(28)26-18-8-6-14(22)10-16(18)24/h5-12H,1-4H2,(H,25,27)(H,26,28).
What are the key properties of 1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 394.37 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 26722049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).