5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide

C12H13FN2O2 — CID 91076811

IUPAC5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(F)cc2c1CCCO
InChIInChI=1S/C12H13FN2O2/c13-7-3-4-10-9(6-7)8(2-1-5-16)11(15-10)12(14)17/h3-4,6,15-16H,1-2,5H2,(H2,14,17)
InChIKeyZWERKSNCQQNOSS-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.33
Rot. Bonds4

About 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide

5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide (PubChem CID 91076811) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide
PubChem CID91076811
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(F)cc2c1CCCO
InChIInChI=1S/C12H13FN2O2/c13-7-3-4-10-9(6-7)8(2-1-5-16)11(15-10)12(14)17/h3-4,6,15-16H,1-2,5H2,(H2,14,17)
InChIKeyZWERKSNCQQNOSS-UHFFFAOYSA-N
XLogP1.33
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide
CID 175237247
ethyl 3-ethyl-5-fluoro-1H-indole-2-carboxylate
CID 18986264
3-(carboxymethyl)-5-fluoro-1H-indole-2-carboxylic acid
CID 18780519
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
3-(2-aminopropyl)-5-fluoro-1H-indole-2-carboxylic acid
CID 170891713
4-fluoro-2-(3-hydroxypropyl)benzamide
CID 86681537
3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide
CID 173085414
2-(5-fluoro-2-phenyl-1H-indol-3-yl)acetamide
CID 152609120
1-(5-fluoro-3-methyl-1H-indol-2-yl)butan-1-one
CID 162435460
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide
CID 78854501
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid
CID 70285360
ethyl 3-(3-ethoxy-3-oxoprop-1-en-2-yl)-5-fluoro-1H-indole-2-carboxylate
CID 18780544

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide (CID 91076811) is 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(F)cc2c1CCCO.
What is the InChIKey of 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide?
The InChIKey is ZWERKSNCQQNOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-7-3-4-10-9(6-7)8(2-1-5-16)11(15-10)12(14)17/h3-4,6,15-16H,1-2,5H2,(H2,14,17).
What are the key properties of 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide?
5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide has a molecular weight of 236.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 91076811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).