4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide

C21H20F2N2O2 — CID 162444906

IUPAC4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C21H20F2N2O2/c22-17-10-16-19(11-18(17)23)24-12-20(16)25-21(26)13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h6-12,14,24H,1-5H2,(H,25,26)
InChIKeyWRHLLZNGKWKBMX-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.41
Rot. Bonds4

About 4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide

4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide (PubChem CID 162444906) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is 4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide.

Molecular Properties

Compound Name4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide
PubChem CID162444906
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C21H20F2N2O2/c22-17-10-16-19(11-18(17)23)24-12-20(16)25-21(26)13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h6-12,14,24H,1-5H2,(H,25,26)
InChIKeyWRHLLZNGKWKBMX-UHFFFAOYSA-N
XLogP5.41
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693
methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate
CID 86891052
N-cyclobutyl-N'-(5,6-difluoro-1H-indol-3-yl)oxamide
CID 156720645
N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide
CID 167468016
N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide
CID 170068393
2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 162445135
4-cyclobutyloxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120882637
N-(2-aminoethyl)-4-cyclohexyloxybenzamide
CID 110465257
4-cyclopentyloxy-N-(4-methylsulfanylphenyl)benzamide
CID 39100305
N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 38455253
N-(5,6-difluoro-1H-indol-3-yl)-6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxamide
CID 162445062

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide?
The IUPAC name of 4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide (CID 162444906) is 4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide.
What is the SMILES notation for 4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide?
The canonical SMILES for 4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide?
The InChIKey is WRHLLZNGKWKBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c22-17-10-16-19(11-18(17)23)24-12-20(16)25-21(26)13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h6-12,14,24H,1-5H2,(H,25,26).
What are the key properties of 4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide?
4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide has a molecular weight of 370.40 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide is sourced from PubChem (CID 162444906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).