5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide

C18H14FN3O — CID 90489194

IUPAC5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2cc(F)ccc21
InChIInChI=1S/C18H14FN3O/c1-22-16-5-3-13(19)8-12(16)9-17(22)18(23)21-14-4-2-11-6-7-20-15(11)10-14/h2-10,20H,1H3,(H,21,23)
InChIKeyKBLZTFPDEYOASQ-UHFFFAOYSA-N
MW307.33 g/mol
LogP4.05
Rot. Bonds2

About 5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide

5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide (PubChem CID 90489194) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide
PubChem CID90489194
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2cc(F)ccc21
InChIInChI=1S/C18H14FN3O/c1-22-16-5-3-13(19)8-12(16)9-17(22)18(23)21-14-4-2-11-6-7-20-15(11)10-14/h2-10,20H,1H3,(H,21,23)
InChIKeyKBLZTFPDEYOASQ-UHFFFAOYSA-N
XLogP4.05
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide
CID 131950386
N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide
CID 71701813
1,5-dimethyl-N-(4-methylphenyl)indole-2-carboxamide
CID 7329101
6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 66940812
2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid
CID 19058101
N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide
CID 110848424
3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide
CID 86207186
4-fluoro-N-[3-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18913097
(2S)-2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylbutanoic acid
CID 7596177
2-(4-fluorophenoxy)-N-(1H-indol-6-yl)acetamide
CID 110730844
2-[1-[[2-fluoro-4-[(5-fluoro-1-methylindole-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 86766379
7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 172904623

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide?
The IUPAC name of 5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide (CID 90489194) is 5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide is Cn1c(C(=O)Nc2ccc3cc[nH]c3c2)cc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide?
The InChIKey is KBLZTFPDEYOASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c1-22-16-5-3-13(19)8-12(16)9-17(22)18(23)21-14-4-2-11-6-7-20-15(11)10-14/h2-10,20H,1H3,(H,21,23).
What are the key properties of 5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide?
5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide has a molecular weight of 307.33 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1H-indol-6-yl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 90489194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).