N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide

C18H17ClN2O3 — CID 113204882

IUPACN-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)Nc3ccc(OC)c(Cl)c3)c(C)c2c1
InChIInChI=1S/C18H17ClN2O3/c1-10-13-9-12(23-2)5-6-15(13)21-17(10)18(22)20-11-4-7-16(24-3)14(19)8-11/h4-9,21H,1-3H3,(H,20,22)
InChIKeyMWTLNHUPTYSOAS-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.40
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide (PubChem CID 113204882) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
PubChem CID113204882
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)Nc3ccc(OC)c(Cl)c3)c(C)c2c1
InChIInChI=1S/C18H17ClN2O3/c1-10-13-9-12(23-2)5-6-15(13)21-17(10)18(22)20-11-4-7-16(24-3)14(19)8-11/h4-9,21H,1-3H3,(H,20,22)
InChIKeyMWTLNHUPTYSOAS-UHFFFAOYSA-N
XLogP4.40
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.40
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

N-(4-ethylphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204869
methyl 5-[(3-chloro-4-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25393428
6-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205346
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204787
N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206630
N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113204660
5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide
CID 46978665
methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113204904
5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide
CID 113204658
6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113205504
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide (CID 113204882) is N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)Nc3ccc(OC)c(Cl)c3)c(C)c2c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The InChIKey is MWTLNHUPTYSOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-10-13-9-12(23-2)5-6-15(13)21-17(10)18(22)20-11-4-7-16(24-3)14(19)8-11/h4-9,21H,1-3H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113204882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).