N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide

C17H13F3N2O2 — CID 111451520

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide
SMILESO=C(NCC(O)c1c(F)cccc1F)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C17H13F3N2O2/c18-10-3-2-6-13-9(10)7-14(22-13)17(24)21-8-15(23)16-11(19)4-1-5-12(16)20/h1-7,15,22-23H,8H2,(H,21,24)
InChIKeyREXPOWHWGZWJKX-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.05
Rot. Bonds4

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide (PubChem CID 111451520) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide
PubChem CID111451520
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide
SMILESO=C(NCC(O)c1c(F)cccc1F)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C17H13F3N2O2/c18-10-3-2-6-13-9(10)7-14(22-13)17(24)21-8-15(23)16-11(19)4-1-5-12(16)20/h1-7,15,22-23H,8H2,(H,21,24)
InChIKeyREXPOWHWGZWJKX-UHFFFAOYSA-N
XLogP3.05
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate
CID 47153631
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432
(2S)-2-[[2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695269
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(1H-indol-2-ylmethyl)urea
CID 111454971
methyl (3S)-3-[(4-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 95933772
2-amino-1-(4-fluoro-1H-indol-2-yl)ethanone
CID 82402932
N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 36852655
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
CID 36806947
1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119168017
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111451352
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 111451534
4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide
CID 32639423

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide (CID 111451520) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide is O=C(NCC(O)c1c(F)cccc1F)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide?
The InChIKey is REXPOWHWGZWJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-10-3-2-6-13-9(10)7-14(22-13)17(24)21-8-15(23)16-11(19)4-1-5-12(16)20/h1-7,15,22-23H,8H2,(H,21,24).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 111451520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).