N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide

C18H16ClFN2O3 — CID 113204660

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide
SMILESCOc1cc(NC(=O)c2[nH]c3ccc(F)cc3c2C)c(OC)cc1Cl
InChIInChI=1S/C18H16ClFN2O3/c1-9-11-6-10(20)4-5-13(11)21-17(9)18(23)22-14-8-15(24-2)12(19)7-16(14)25-3/h4-8,21H,1-3H3,(H,22,23)
InChIKeyFPTJSXYJDNLYBX-UHFFFAOYSA-N
MW362.79 g/mol
LogP4.54
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide (PubChem CID 113204660) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide
PubChem CID113204660
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide
SMILESCOc1cc(NC(=O)c2[nH]c3ccc(F)cc3c2C)c(OC)cc1Cl
InChIInChI=1S/C18H16ClFN2O3/c1-9-11-6-10(20)4-5-13(11)21-17(9)18(23)22-14-8-15(24-2)12(19)7-16(14)25-3/h4-8,21H,1-3H3,(H,22,23)
InChIKeyFPTJSXYJDNLYBX-UHFFFAOYSA-N
XLogP4.54
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204787
5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204627
5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide
CID 113204658
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208188
N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204882
3-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 26884419
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-difluorobenzamide
CID 7924034
N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205194
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108532288

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide (CID 113204660) is N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide is COc1cc(NC(=O)c2[nH]c3ccc(F)cc3c2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide?
The InChIKey is FPTJSXYJDNLYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c1-9-11-6-10(20)4-5-13(11)21-17(9)18(23)22-14-8-15(24-2)12(19)7-16(14)25-3/h4-8,21H,1-3H3,(H,22,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide has a molecular weight of 362.79 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113204660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).