4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide

C16H19FN2O — CID 47151029

IUPAC4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3c(F)cccc3[nH]2)CC1
InChIInChI=1S/C16H19FN2O/c1-10-5-7-11(8-6-10)18-16(20)15-9-12-13(17)3-2-4-14(12)19-15/h2-4,9-11,19H,5-8H2,1H3,(H,18,20)
InChIKeyALWBHLOYBDHTAA-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.62
Rot. Bonds2

About 4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide

4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide (PubChem CID 47151029) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
PubChem CID47151029
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3c(F)cccc3[nH]2)CC1
InChIInChI=1S/C16H19FN2O/c1-10-5-7-11(8-6-10)18-16(20)15-9-12-13(17)3-2-4-14(12)19-15/h2-4,9-11,19H,5-8H2,1H3,(H,18,20)
InChIKeyALWBHLOYBDHTAA-UHFFFAOYSA-N
XLogP3.62
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-(4-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 134010426
N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 31401736
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide
CID 56807656
4-cyclopropyl-N-(4-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 167748241
N-(3-methylcyclopentyl)-1H-indole-2-carboxamide
CID 114550625
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
(3,5-dimethylpiperidin-1-yl)-(4-fluoro-1H-indol-2-yl)methanone
CID 47151027
4-methyl-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44555586
4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 68710712
methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate
CID 47153631
2,3-difluoro-N-(4-methylcycloheptyl)benzamide
CID 102795195
4-cyclopropyl-N-[(3S,4R)-3,4-dihydroxycyclopentyl]-1H-indole-2-carboxamide
CID 167898298

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide (CID 47151029) is 4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide is CC1CCC(NC(=O)c2cc3c(F)cccc3[nH]2)CC1.
What is the InChIKey of 4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
The InChIKey is ALWBHLOYBDHTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-10-5-7-11(8-6-10)18-16(20)15-9-12-13(17)3-2-4-14(12)19-15/h2-4,9-11,19H,5-8H2,1H3,(H,18,20).
What are the key properties of 4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide?
4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide has a molecular weight of 274.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 47151029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).