5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide

C18H17ClN2O4 — CID 113205929

IUPAC5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
SMILESCOc1cc(NC(=O)c2c[nH]c3ccc(Cl)cc23)cc(OC)c1OC
InChIInChI=1S/C18H17ClN2O4/c1-23-15-7-11(8-16(24-2)17(15)25-3)21-18(22)13-9-20-14-5-4-10(19)6-12(13)14/h4-9,20H,1-3H3,(H,21,22)
InChIKeyKZQCFYRDRAODDQ-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.10
Rot. Bonds5

About 5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide

5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide (PubChem CID 113205929) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
PubChem CID113205929
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
SMILESCOc1cc(NC(=O)c2c[nH]c3ccc(Cl)cc23)cc(OC)c1OC
InChIInChI=1S/C18H17ClN2O4/c1-23-15-7-11(8-16(24-2)17(15)25-3)21-18(22)13-9-20-14-5-4-10(19)6-12(13)14/h4-9,20H,1-3H3,(H,21,22)
InChIKeyKZQCFYRDRAODDQ-UHFFFAOYSA-N
XLogP4.10
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118
5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113205749
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206126
N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205903
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000
N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205923
N-(3,4-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206123
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946
6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 17016539
5-chloro-N-(4-pyrrolidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113205913
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide (CID 113205929) is 5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide is COc1cc(NC(=O)c2c[nH]c3ccc(Cl)cc23)cc(OC)c1OC.
What is the InChIKey of 5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide?
The InChIKey is KZQCFYRDRAODDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-23-15-7-11(8-16(24-2)17(15)25-3)21-18(22)13-9-20-14-5-4-10(19)6-12(13)14/h4-9,20H,1-3H3,(H,21,22).
What are the key properties of 5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide?
5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide has a molecular weight of 360.80 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113205929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).