N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide

C18H17ClN2O2 — CID 113204438

IUPACN-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(C)c2ccccc2n1C
InChIInChI=1S/C18H17ClN2O2/c1-11-13-6-4-5-7-15(13)21(2)17(11)18(22)20-14-10-12(19)8-9-16(14)23-3/h4-10H,1-3H3,(H,20,22)
InChIKeyQVOGUOUDOPUTKN-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.40
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide

N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide (PubChem CID 113204438) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
PubChem CID113204438
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(C)c2ccccc2n1C
InChIInChI=1S/C18H17ClN2O2/c1-11-13-6-4-5-7-15(13)21(2)17(11)18(22)20-14-10-12(19)8-9-16(14)23-3/h4-10H,1-3H3,(H,20,22)
InChIKeyQVOGUOUDOPUTKN-UHFFFAOYSA-N
XLogP4.40
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.40
H-Bond Donors ≤ 51
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-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204445
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide
CID 55663937
4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 5048499
4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
N-(5-chloro-2-methoxyphenyl)-1-methylindole-4-carboxamide
CID 112520804
N-(5-chloro-2-methoxyphenyl)-3-hydroxynaphthalene-1-carboxamide
CID 18757585
3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097288
N-(5-chloro-2-methoxyphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54679620
5-chloro-4-[(1-ethyl-3-methylindole-2-carbonyl)amino]-2-methoxybenzoic acid
CID 110501497
N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
CID 110762736
1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
CID 113204328

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide (CID 113204438) is N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1c(C)c2ccccc2n1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide?
The InChIKey is QVOGUOUDOPUTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-13-6-4-5-7-15(13)21(2)17(11)18(22)20-14-10-12(19)8-9-16(14)23-3/h4-10H,1-3H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide is sourced from PubChem (CID 113204438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).