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

C18H15FN2O3 — CID 99965963

IUPAC1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide
SMILESCc1c(C(N)=O)c2ccccc2n1C(=O)COc1ccccc1F
InChIInChI=1S/C18H15FN2O3/c1-11-17(18(20)23)12-6-2-4-8-14(12)21(11)16(22)10-24-15-9-5-3-7-13(15)19/h2-9H,10H2,1H3,(H2,20,23)
InChIKeyAGYQDJUIHPNMJF-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.91
Rot. Bonds4

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

1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide (PubChem CID 99965963) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide
PubChem CID99965963
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide
SMILESCc1c(C(N)=O)c2ccccc2n1C(=O)COc1ccccc1F
InChIInChI=1S/C18H15FN2O3/c1-11-17(18(20)23)12-6-2-4-8-14(12)21(11)16(22)10-24-15-9-5-3-7-13(15)19/h2-9H,10H2,1H3,(H2,20,23)
InChIKeyAGYQDJUIHPNMJF-UHFFFAOYSA-N
XLogP2.91
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide
CID 99965412
1-[2-(2-fluorophenoxy)acetyl]indole-3-carboxamide
CID 99965961
1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone
CID 751346
1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide
CID 91690357
1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide
CID 99965957
1-(4-butoxybenzoyl)-2-methylindole-3-carboxamide
CID 91690683
1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid
CID 99968705
5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one
CID 110724076
ethyl 2-methyl-1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243178
methyl 1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylate
CID 99968904
1-(2,5-dimethylmorpholin-4-yl)-2-(2-fluorophenoxy)ethanone
CID 110727665
1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide
CID 91690481

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide?
The IUPAC name of 1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide (CID 99965963) is 1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide?
The canonical SMILES for 1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide is Cc1c(C(N)=O)c2ccccc2n1C(=O)COc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide?
The InChIKey is AGYQDJUIHPNMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-11-17(18(20)23)12-6-2-4-8-14(12)21(11)16(22)10-24-15-9-5-3-7-13(15)19/h2-9H,10H2,1H3,(H2,20,23).
What are the key properties of 1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide?
1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.91, 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]-2-methylindole-3-carboxamide is sourced from PubChem (CID 99965963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).