N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide

C18H17FN2O3 — CID 110860582

IUPACN-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)[nH]c3cc(F)ccc23)c(OC)c1
InChIInChI=1S/C18H17FN2O3/c1-10-17(13-6-4-11(19)8-15(13)20-10)18(22)21-14-7-5-12(23-2)9-16(14)24-3/h4-9,20H,1-3H3,(H,21,22)
InChIKeyIGORPLMQJCLTNP-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.88
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide

N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide (PubChem CID 110860582) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide
PubChem CID110860582
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)[nH]c3cc(F)ccc23)c(OC)c1
InChIInChI=1S/C18H17FN2O3/c1-10-17(13-6-4-11(19)8-15(13)20-10)18(22)21-14-7-5-12(23-2)9-16(14)24-3/h4-9,20H,1-3H3,(H,21,22)
InChIKeyIGORPLMQJCLTNP-UHFFFAOYSA-N
XLogP3.88
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-(2-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859831
6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110860042
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-(2,5-dimethoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110762508
(4-fluorophenyl)-(6-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 154187614
2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 62060818
N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766220
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467
N-(2,4-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 7930911
2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055
(4S)-N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1322115
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide (CID 110860582) is N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide is COc1ccc(NC(=O)c2c(C)[nH]c3cc(F)ccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide?
The InChIKey is IGORPLMQJCLTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-10-17(13-6-4-11(19)8-15(13)20-10)18(22)21-14-7-5-12(23-2)9-16(14)24-3/h4-9,20H,1-3H3,(H,21,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide?
N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-fluoro-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110860582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).