N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide

C16H13FN2O2 — CID 60971449

IUPACN-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1F
InChIInChI=1S/C16H13FN2O2/c1-21-15-5-4-12(9-13(15)17)19-16(20)11-3-2-10-6-7-18-14(10)8-11/h2-9,18H,1H3,(H,19,20)
InChIKeyJGIJJTWRTWHQJQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.57
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide

N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide (PubChem CID 60971449) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide
PubChem CID60971449
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1F
InChIInChI=1S/C16H13FN2O2/c1-21-15-5-4-12(9-13(15)17)19-16(20)11-3-2-10-6-7-18-14(10)8-11/h2-9,18H,1H3,(H,19,20)
InChIKeyJGIJJTWRTWHQJQ-UHFFFAOYSA-N
XLogP3.57
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide
CID 114840582
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide
CID 51087336
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780
3-fluoro-N-(1H-indazol-6-yl)-4-methoxybenzamide
CID 36561598
N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
CID 39709233
N-(3-fluoro-4-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103951806
N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide
CID 103892052
5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide
CID 43612160
4-amino-N-(3-fluoro-4-methoxyphenyl)-3-hydroxybenzamide
CID 107074051
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
tert-butyl 4-(1H-indole-6-carbonylamino)benzoate
CID 68698623

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide (CID 60971449) is N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide is COc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide?
The InChIKey is JGIJJTWRTWHQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-21-15-5-4-12(9-13(15)17)19-16(20)11-3-2-10-6-7-18-14(10)8-11/h2-9,18H,1H3,(H,19,20).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 60971449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).