4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide

C21H22F2N2O3 — CID 109151046

IUPAC4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1cccc(NC(=O)C2CCC(C(=O)Nc3c(F)cccc3F)CC2)c1
InChIInChI=1S/C21H22F2N2O3/c1-28-16-5-2-4-15(12-16)24-20(26)13-8-10-14(11-9-13)21(27)25-19-17(22)6-3-7-18(19)23/h2-7,12-14H,8-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyUSKBPQQSOPNEKO-UHFFFAOYSA-N
MW388.41 g/mol
LogP4.36
Rot. Bonds5

About 4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide

4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109151046) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is 4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109151046
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCOc1cccc(NC(=O)C2CCC(C(=O)Nc3c(F)cccc3F)CC2)c1
InChIInChI=1S/C21H22F2N2O3/c1-28-16-5-2-4-15(12-16)24-20(26)13-8-10-14(11-9-13)21(27)25-19-17(22)6-3-7-18(19)23/h2-7,12-14H,8-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyUSKBPQQSOPNEKO-UHFFFAOYSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
1-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 43919659
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[3-[2-(3,5-difluoro-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 87031657
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 109147563
N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 109416121
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide
CID 112983563
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111030481

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide (CID 109151046) is 4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide is COc1cccc(NC(=O)C2CCC(C(=O)Nc3c(F)cccc3F)CC2)c1.
What is the InChIKey of 4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is USKBPQQSOPNEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c1-28-16-5-2-4-15(12-16)24-20(26)13-8-10-14(11-9-13)21(27)25-19-17(22)6-3-7-18(19)23/h2-7,12-14H,8-11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide?
4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 388.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109151046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).