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

C17H22F2N2O3 — CID 109146590

IUPAC4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
SMILESCOCCNC(=O)C1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H22F2N2O3/c1-24-9-8-20-16(22)11-2-4-12(5-3-11)17(23)21-13-6-7-14(18)15(19)10-13/h6-7,10-12H,2-5,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyXGRZWWNLRHSYMN-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.47
Rot. Bonds6

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

4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109146590) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is 4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109146590
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
SMILESCOCCNC(=O)C1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H22F2N2O3/c1-24-9-8-20-16(22)11-2-4-12(5-3-11)17(23)21-13-6-7-14(18)15(19)10-13/h6-7,10-12H,2-5,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyXGRZWWNLRHSYMN-UHFFFAOYSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133083
N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112980891
4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146575
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146700
N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112752545
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146679
1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109146735
(3S,6S)-1-(3,4-difluorobenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671496
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide
CID 39231121
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821436

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide (CID 109146590) is 4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide is COCCNC(=O)C1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is XGRZWWNLRHSYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-24-9-8-20-16(22)11-2-4-12(5-3-11)17(23)21-13-6-7-14(18)15(19)10-13/h6-7,10-12H,2-5,8-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide?
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 340.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).