4-chloro-6-fluoro-1H-indole-2-carboxamide

C9H6ClFN2O — CID 175458349

IUPAC4-chloro-6-fluoro-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2c(Cl)cc(F)cc2[nH]1
InChIInChI=1S/C9H6ClFN2O/c10-6-1-4(11)2-7-5(6)3-8(13-7)9(12)14/h1-3,13H,(H2,12,14)
InChIKeyGJEKQDIEWDILGV-UHFFFAOYSA-N
MW212.61 g/mol
LogP2.06
Rot. Bonds1

About 4-chloro-6-fluoro-1H-indole-2-carboxamide

4-chloro-6-fluoro-1H-indole-2-carboxamide (PubChem CID 175458349) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 4-chloro-6-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-6-fluoro-1H-indole-2-carboxamide
PubChem CID175458349
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name4-chloro-6-fluoro-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2c(Cl)cc(F)cc2[nH]1
InChIInChI=1S/C9H6ClFN2O/c10-6-1-4(11)2-7-5(6)3-8(13-7)9(12)14/h1-3,13H,(H2,12,14)
InChIKeyGJEKQDIEWDILGV-UHFFFAOYSA-N
XLogP2.06
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-6-fluoro-1H-indole-2-carboxamide
CID 146302018
azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
CID 166285155
4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide
CID 155963978
(4-chloro-6-fluoro-1H-indol-2-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 166286465
4-bromo-6-fluoro-1H-indole-2-carboxylic acid
CID 83901550
4,6-dichloro-1H-indole-2-carboxamide;1,1,3-trimethylcyclohexane
CID 145174605
(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
CID 150805748
6-chloro-5-iodo-1H-indole-2-carboxamide
CID 135396268
4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane
CID 143277550
3-(2-chlorophenyl)-6-fluoro-1H-indole-2-carboxamide
CID 70494268
6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
CID 67227038
4-chloro-N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-6-fluoro-N-methyl-1H-indole-2-carboxamide
CID 166526738

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-1H-indole-2-carboxamide?
The IUPAC name of 4-chloro-6-fluoro-1H-indole-2-carboxamide (CID 175458349) is 4-chloro-6-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-chloro-6-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for 4-chloro-6-fluoro-1H-indole-2-carboxamide is NC(=O)c1cc2c(Cl)cc(F)cc2[nH]1.
What is the InChIKey of 4-chloro-6-fluoro-1H-indole-2-carboxamide?
The InChIKey is GJEKQDIEWDILGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c10-6-1-4(11)2-7-5(6)3-8(13-7)9(12)14/h1-3,13H,(H2,12,14).
What are the key properties of 4-chloro-6-fluoro-1H-indole-2-carboxamide?
4-chloro-6-fluoro-1H-indole-2-carboxamide has a molecular weight of 212.61 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 175458349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).