1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide

C17H13FN2O3 — CID 99965961

IUPAC1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide
SMILESNC(=O)c1cn(C(=O)COc2ccccc2F)c2ccccc12
InChIInChI=1S/C17H13FN2O3/c18-13-6-2-4-8-15(13)23-10-16(21)20-9-12(17(19)22)11-5-1-3-7-14(11)20/h1-9H,10H2,(H2,19,22)
InChIKeySQDFIBMFAPNYDC-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.60
Rot. Bonds4

About 1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide

1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide (PubChem CID 99965961) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide
PubChem CID99965961
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide
SMILESNC(=O)c1cn(C(=O)COc2ccccc2F)c2ccccc12
InChIInChI=1S/C17H13FN2O3/c18-13-6-2-4-8-15(13)23-10-16(21)20-9-12(17(19)22)11-5-1-3-7-14(11)20/h1-9H,10H2,(H2,19,22)
InChIKeySQDFIBMFAPNYDC-UHFFFAOYSA-N
XLogP2.60
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide
CID 99965957
1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide
CID 99965963
methyl 1-[2-(2-methylphenoxy)acetyl]indole-3-carboxylate
CID 703715
1-[2-(2,3-dimethylphenoxy)acetyl]indole-3-carboxylic acid
CID 99965438
1-(2-methoxybenzoyl)indole-3-carboxamide
CID 91690536
2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide
CID 3161660
1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone
CID 751346
methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555
1-(4-chlorobenzoyl)indole-3-carboxamide
CID 91690434
3-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 51152953
1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one
CID 955241
methyl 1-[2-(4-bromophenoxy)acetyl]indole-3-carboxylate
CID 1370349

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide?
The IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide (CID 99965961) is 1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide?
The canonical SMILES for 1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide is NC(=O)c1cn(C(=O)COc2ccccc2F)c2ccccc12.
What is the InChIKey of 1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide?
The InChIKey is SQDFIBMFAPNYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-13-6-2-4-8-15(13)23-10-16(21)20-9-12(17(19)22)11-5-1-3-7-14(11)20/h1-9H,10H2,(H2,19,22).
What are the key properties of 1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide?
1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide is sourced from PubChem (CID 99965961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).