4,5-difluoro-N-methyl-1H-indole-2-carboxamide

C10H8F2N2O — CID 171750600

IUPAC4,5-difluoro-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C10H8F2N2O/c1-13-10(15)8-4-5-7(14-8)3-2-6(11)9(5)12/h2-4,14H,1H3,(H,13,15)
InChIKeyNIPXJQGYHMVFCX-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.81
Rot. Bonds1

About 4,5-difluoro-N-methyl-1H-indole-2-carboxamide

4,5-difluoro-N-methyl-1H-indole-2-carboxamide (PubChem CID 171750600) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 4,5-difluoro-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,5-difluoro-N-methyl-1H-indole-2-carboxamide
PubChem CID171750600
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name4,5-difluoro-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C10H8F2N2O/c1-13-10(15)8-4-5-7(14-8)3-2-6(11)9(5)12/h2-4,14H,1H3,(H,13,15)
InChIKeyNIPXJQGYHMVFCX-UHFFFAOYSA-N
XLogP1.81
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-N-methyl-1H-indole-2-carboxamide
CID 130007884
1-[4-(4,5-difluoro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 166203080
methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
CID 131390068
5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 123567229
methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
CID 130408699
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide
CID 166203069
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 171676565
methyl 5,6-difluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 53429425
5-amino-4-fluoro-1H-indole-2-carboxylic acid
CID 82401506
[difluoro-[2-(methylcarbamoyl)-1H-indol-5-yl]methyl]phosphonic acid
CID 169170618
N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
CID 175836307

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 4,5-difluoro-N-methyl-1H-indole-2-carboxamide (CID 171750600) is 4,5-difluoro-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 4,5-difluoro-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 4,5-difluoro-N-methyl-1H-indole-2-carboxamide is CNC(=O)c1cc2c(F)c(F)ccc2[nH]1.
What is the InChIKey of 4,5-difluoro-N-methyl-1H-indole-2-carboxamide?
The InChIKey is NIPXJQGYHMVFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-13-10(15)8-4-5-7(14-8)3-2-6(11)9(5)12/h2-4,14H,1H3,(H,13,15).
What are the key properties of 4,5-difluoro-N-methyl-1H-indole-2-carboxamide?
4,5-difluoro-N-methyl-1H-indole-2-carboxamide has a molecular weight of 210.18 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 171750600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).