N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide

C15H16F2N2O — CID 121021872

IUPACN-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16F2N2O/c16-15(17)7-5-10(6-8-15)19-14(20)12-9-18-13-4-2-1-3-11(12)13/h1-4,9-10,18H,5-8H2,(H,19,20)
InChIKeyIDPWHWVHIWTJOW-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.48
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide

N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide (PubChem CID 121021872) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide
PubChem CID121021872
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC NameN-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16F2N2O/c16-15(17)7-5-10(6-8-15)19-14(20)12-9-18-13-4-2-1-3-11(12)13/h1-4,9-10,18H,5-8H2,(H,19,20)
InChIKeyIDPWHWVHIWTJOW-UHFFFAOYSA-N
XLogP3.48
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
CID 61230821
cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320270
N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 38112267
N-(1-methylcyclopropyl)-1H-indole-3-carboxamide
CID 115634491
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11711207
N-(3-ethoxycyclobutyl)-1H-indole-3-carboxamide
CID 102673960
2-(1H-indole-3-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82765821
N-(2-aminocyclopentyl)-1H-indole-3-carboxamide
CID 63251414
N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide
CID 122245618
N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 167818595

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide (CID 121021872) is N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide is O=C(NC1CCC(F)(F)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide?
The InChIKey is IDPWHWVHIWTJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c16-15(17)7-5-10(6-8-15)19-14(20)12-9-18-13-4-2-1-3-11(12)13/h1-4,9-10,18H,5-8H2,(H,19,20).
What are the key properties of N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide?
N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide has a molecular weight of 278.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 121021872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).