4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide

C11H9ClF2N2O — CID 155963978

IUPAC4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide
SMILESO=C(NCCF)c1cc2c(Cl)cc(F)cc2[nH]1
InChIInChI=1S/C11H9ClF2N2O/c12-8-3-6(14)4-9-7(8)5-10(16-9)11(17)15-2-1-13/h3-5,16H,1-2H2,(H,15,17)
InChIKeyOPINCDDZDMJYLW-UHFFFAOYSA-N
MW258.66 g/mol
LogP2.66
Rot. Bonds3

About 4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide

4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide (PubChem CID 155963978) has the molecular formula C11H9ClF2N2O and a molecular weight of 258.66 g/mol. Its IUPAC name is 4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide
PubChem CID155963978
Molecular FormulaC11H9ClF2N2O
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide
SMILESO=C(NCCF)c1cc2c(Cl)cc(F)cc2[nH]1
InChIInChI=1S/C11H9ClF2N2O/c12-8-3-6(14)4-9-7(8)5-10(16-9)11(17)15-2-1-13/h3-5,16H,1-2H2,(H,15,17)
InChIKeyOPINCDDZDMJYLW-UHFFFAOYSA-N
XLogP2.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-6-fluoro-1H-indole-2-carboxamide
CID 175458349
azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
CID 166285155
6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide
CID 111433448
2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid
CID 75513250
4-chloro-6-fluoro-N-[(Z)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carbonylamino)but-2-enyl]-1H-indole-2-carboxamide
CID 167973015
(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
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
4,6-dichloro-N',N'-diethyl-1H-indole-2-carbohydrazide
CID 150834456
(4-chloro-6-fluoro-1H-indol-2-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 166286465
5-[(6-bromo-4-fluoro-1H-indole-2-carbonyl)amino]pentanoic acid
CID 119234993
4,6-dichloro-N-[3-(quinolin-2-ylamino)propyl]-1H-indole-2-carboxamide
CID 44534616
4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide
CID 110848091

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide?
The IUPAC name of 4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide (CID 155963978) is 4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide is O=C(NCCF)c1cc2c(Cl)cc(F)cc2[nH]1.
What is the InChIKey of 4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide?
The InChIKey is OPINCDDZDMJYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2O/c12-8-3-6(14)4-9-7(8)5-10(16-9)11(17)15-2-1-13/h3-5,16H,1-2H2,(H,15,17).
What are the key properties of 4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide?
4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide has a molecular weight of 258.66 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 155963978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).