N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide

C23H24F2N2O2 — CID 109150627

IUPACN-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCC(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C23H24F2N2O2/c24-19-12-11-18(14-20(19)25)26-22(28)16-7-9-17(10-8-16)23(29)27-13-3-5-15-4-1-2-6-21(15)27/h1-2,4,6,11-12,14,16-17H,3,5,7-10,13H2,(H,26,28)
InChIKeyIVPPFNPJUKVBDK-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.69
Rot. Bonds3

About N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide

N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109150627) has the molecular formula C23H24F2N2O2 and a molecular weight of 398.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109150627
Molecular FormulaC23H24F2N2O2
Molecular Weight398.45 g/mol
Exact Mass398.18
IUPAC NameN-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCC(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C23H24F2N2O2/c24-19-12-11-18(14-20(19)25)26-22(28)16-7-9-17(10-8-16)23(29)27-13-3-5-15-4-1-2-6-21(15)27/h1-2,4,6,11-12,14,16-17H,3,5,7-10,13H2,(H,26,28)
InChIKeyIVPPFNPJUKVBDK-UHFFFAOYSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 109150621
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 109150620
N-(3,4-difluorophenyl)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141406
N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide
CID 109150603
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 109141427
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide
CID 7517256
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 109148161
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-(3,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049570
4-(2,3-dihydroindole-1-carbonyl)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 109150575
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide (CID 109150627) is N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CCC(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is IVPPFNPJUKVBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O2/c24-19-12-11-18(14-20(19)25)26-22(28)16-7-9-17(10-8-16)23(29)27-13-3-5-15-4-1-2-6-21(15)27/h1-2,4,6,11-12,14,16-17H,3,5,7-10,13H2,(H,26,28).
What are the key properties of N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide?
N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109150627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).