2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide

C17H14FN3O2 — CID 110700282

IUPAC2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H14FN3O2/c18-11-5-6-14-13(8-11)10(9-20-14)7-16(22)21-15-4-2-1-3-12(15)17(19)23/h1-6,8-9,20H,7H2,(H2,19,23)(H,21,22)
InChIKeyUWRCALJEHWLFQR-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.59
Rot. Bonds4

About 2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide

2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide (PubChem CID 110700282) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide
PubChem CID110700282
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H14FN3O2/c18-11-5-6-14-13(8-11)10(9-20-14)7-16(22)21-15-4-2-1-3-12(15)17(19)23/h1-6,8-9,20H,7H2,(H2,19,23)(H,21,22)
InChIKeyUWRCALJEHWLFQR-UHFFFAOYSA-N
XLogP2.59
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 126852042
2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209687
ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate
CID 110428322
2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 111393023
(5-fluoro-1H-indol-3-yl)urea
CID 167168212
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
N-(3-chloro-4-fluorophenyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209314
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209328
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide (CID 110700282) is 2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide?
The InChIKey is UWRCALJEHWLFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-11-5-6-14-13(8-11)10(9-20-14)7-16(22)21-15-4-2-1-3-12(15)17(19)23/h1-6,8-9,20H,7H2,(H2,19,23)(H,21,22).
What are the key properties of 2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide?
2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide has a molecular weight of 311.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 110700282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).