N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide

C22H22F2N2O2 — CID 109150603

IUPACN-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCC(C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C22H22F2N2O2/c23-17-9-10-19(18(24)13-17)25-21(27)15-5-7-16(8-6-15)22(28)26-12-11-14-3-1-2-4-20(14)26/h1-4,9-10,13,15-16H,5-8,11-12H2,(H,25,27)
InChIKeyNZCOBZJTRXRUSQ-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.30
Rot. Bonds3

About N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide

N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109150603) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109150603
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC NameN-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCC(C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C22H22F2N2O2/c23-17-9-10-19(18(24)13-17)25-21(27)15-5-7-16(8-6-15)22(28)26-12-11-14-3-1-2-4-20(14)26/h1-4,9-10,13,15-16H,5-8,11-12H2,(H,25,27)
InChIKeyNZCOBZJTRXRUSQ-UHFFFAOYSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.30
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
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide
CID 109150627
4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149108
4-(2,3-dihydroindole-1-carbonyl)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 109150575
N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147669
N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505775
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
[2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266122
N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150615
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 109150620
cis-(1S,3R)-3-[(2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091643

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide (CID 109150603) is N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide is O=C(Nc1ccc(F)cc1F)C1CCC(C(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is NZCOBZJTRXRUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c23-17-9-10-19(18(24)13-17)25-21(27)15-5-7-16(8-6-15)22(28)26-12-11-14-3-1-2-4-20(14)26/h1-4,9-10,13,15-16H,5-8,11-12H2,(H,25,27).
What are the key properties of N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide?
N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109150603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).