N-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide

C20H24F4N2O2 — CID 171577055

IUPACN-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)C1CC(F)CC(F)C1)C1CC(F)CC(F)C1
InChIInChI=1S/C20H24F4N2O2/c21-13-5-11(6-14(22)9-13)19(27)25-17-3-1-2-4-18(17)26-20(28)12-7-15(23)10-16(24)8-12/h1-4,11-16H,5-10H2,(H,25,27)(H,26,28)
InChIKeyNARIEBZIZPHMKR-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.52
Rot. Bonds4

About N-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide

N-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide (PubChem CID 171577055) has the molecular formula C20H24F4N2O2 and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide
PubChem CID171577055
Molecular FormulaC20H24F4N2O2
Molecular Weight400.42 g/mol
Exact Mass400.18
IUPAC NameN-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)C1CC(F)CC(F)C1)C1CC(F)CC(F)C1
InChIInChI=1S/C20H24F4N2O2/c21-13-5-11(6-14(22)9-13)19(27)25-17-3-1-2-4-18(17)26-20(28)12-7-15(23)10-16(24)8-12/h1-4,11-16H,5-10H2,(H,25,27)(H,26,28)
InChIKeyNARIEBZIZPHMKR-UHFFFAOYSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 174928613
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide
CID 89158267
4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577071
methyl 3-[(2-methylsulfanylphenyl)carbamoyl]cyclobutane-1-carboxylate
CID 56926313
3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 167961705
9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 2898045
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide (CID 171577055) is N-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide is O=C(Nc1ccccc1NC(=O)C1CC(F)CC(F)C1)C1CC(F)CC(F)C1.
What is the InChIKey of N-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide?
The InChIKey is NARIEBZIZPHMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F4N2O2/c21-13-5-11(6-14(22)9-13)19(27)25-17-3-1-2-4-18(17)26-20(28)12-7-15(23)10-16(24)8-12/h1-4,11-16H,5-10H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide?
N-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide has a molecular weight of 400.42 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-difluorocyclohexanecarbonyl)amino]phenyl]-3,5-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 171577055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).