N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide

C18H16FN3O3 — CID 33379841

IUPACN-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cc(NC(C)=O)ccc3F)[nH]c2c1
InChIInChI=1S/C18H16FN3O3/c1-10(23)20-12-4-6-14(19)16(8-12)22-18(24)17-7-11-3-5-13(25-2)9-15(11)21-17/h3-9,21H,1-2H3,(H,20,23)(H,22,24)
InChIKeyUEARQAWUXQJZLY-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.53
Rot. Bonds4

About N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide

N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide (PubChem CID 33379841) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
PubChem CID33379841
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cc(NC(C)=O)ccc3F)[nH]c2c1
InChIInChI=1S/C18H16FN3O3/c1-10(23)20-12-4-6-14(19)16(8-12)22-18(24)17-7-11-3-5-13(25-2)9-15(11)21-17/h3-9,21H,1-2H3,(H,20,23)(H,22,24)
InChIKeyUEARQAWUXQJZLY-UHFFFAOYSA-N
XLogP3.53
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46445599
N-(3-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 110862680
N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 134002747
6-methoxy-N-(2-phenylphenyl)-1H-indole-2-carboxamide
CID 138604809
6-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indole-2-carboxamide
CID 36545679
N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methoxy-1H-indole-2-carboxamide
CID 172935644
N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988363
N-(2-fluoro-4-iodophenyl)-5-methoxy-1H-indole-2-carboxamide
CID 2742913
[2-(4-acetamidophenyl)-2-oxoethyl] 6-methoxy-1H-indole-2-carboxylate
CID 34506353

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide (CID 33379841) is N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)Nc3cc(NC(C)=O)ccc3F)[nH]c2c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is UEARQAWUXQJZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-10(23)20-12-4-6-14(19)16(8-12)22-18(24)17-7-11-3-5-13(25-2)9-15(11)21-17/h3-9,21H,1-2H3,(H,20,23)(H,22,24).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide?
N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 33379841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).