5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide

C19H19ClN2O3 — CID 55579430

IUPAC5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(OC)c1
InChIInChI=1S/C19H19ClN2O3/c1-11(15-6-5-14(24-2)10-18(15)25-3)21-19(23)17-9-12-8-13(20)4-7-16(12)22-17/h4-11,22H,1-3H3,(H,21,23)
InChIKeyYGNBILXUMREZIQ-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.33
Rot. Bonds5

About 5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide

5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 55579430) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID55579430
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(OC)c1
InChIInChI=1S/C19H19ClN2O3/c1-11(15-6-5-14(24-2)10-18(15)25-3)21-19(23)17-9-12-8-13(20)4-7-16(12)22-17/h4-11,22H,1-3H3,(H,21,23)
InChIKeyYGNBILXUMREZIQ-UHFFFAOYSA-N
XLogP4.33
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-2-carboxamide
CID 71897962
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 39983681
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
2,6-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 86846897
6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 134053626
N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide
CID 99790517
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094
(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 11688408

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide (CID 55579430) is 5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide is COc1ccc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(OC)c1.
What is the InChIKey of 5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is YGNBILXUMREZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-11(15-6-5-14(24-2)10-18(15)25-3)21-19(23)17-9-12-8-13(20)4-7-16(12)22-17/h4-11,22H,1-3H3,(H,21,23).
What are the key properties of 5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide?
5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55579430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).