4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide

C20H26F2N2O2 — CID 171577056

IUPAC4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCC(F)CC2)c1)C1CCC(F)CC1
InChIInChI=1S/C20H26F2N2O2/c21-15-8-4-13(5-9-15)19(25)23-17-2-1-3-18(12-17)24-20(26)14-6-10-16(22)11-7-14/h1-3,12-16H,4-11H2,(H,23,25)(H,24,26)
InChIKeySJTZWDICXMWUSS-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.62
Rot. Bonds4

About 4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide

4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide (PubChem CID 171577056) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
PubChem CID171577056
Molecular FormulaC20H26F2N2O2
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCC(F)CC2)c1)C1CCC(F)CC1
InChIInChI=1S/C20H26F2N2O2/c21-15-8-4-13(5-9-15)19(25)23-17-2-1-3-18(12-17)24-20(26)14-6-10-16(22)11-7-14/h1-3,12-16H,4-11H2,(H,23,25)(H,24,26)
InChIKeySJTZWDICXMWUSS-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64991224
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CID 28620650
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-[3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 45365632
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541103
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674
N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide
CID 103732512
N-(3-formylphenyl)cyclopropanecarboxamide
CID 106912504

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide (CID 171577056) is 4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide is O=C(Nc1cccc(NC(=O)C2CCC(F)CC2)c1)C1CCC(F)CC1.
What is the InChIKey of 4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide?
The InChIKey is SJTZWDICXMWUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c21-15-8-4-13(5-9-15)19(25)23-17-2-1-3-18(12-17)24-20(26)14-6-10-16(22)11-7-14/h1-3,12-16H,4-11H2,(H,23,25)(H,24,26).
What are the key properties of 4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide?
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 171577056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).