N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide

C18H17ClN2O2 — CID 113206005

IUPACN-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)NCCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C18H17ClN2O2/c1-23-14-6-7-17-15(10-14)16(11-21-17)18(22)20-9-8-12-2-4-13(19)5-3-12/h2-7,10-11,21H,8-9H2,1H3,(H,20,22)
InChIKeyKRYKGQQDACQJIL-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.80
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide (PubChem CID 113206005) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
PubChem CID113206005
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)NCCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C18H17ClN2O2/c1-23-14-6-7-17-15(10-14)16(11-21-17)18(22)20-9-8-12-2-4-13(19)5-3-12/h2-7,10-11,21H,8-9H2,1H3,(H,20,22)
InChIKeyKRYKGQQDACQJIL-UHFFFAOYSA-N
XLogP3.80
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206381
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61117267
2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
CID 63879051
N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206126
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
5-chloro-N-propyl-1H-indole-3-carboxamide
CID 113205770
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide (CID 113206005) is N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide is COc1ccc2[nH]cc(C(=O)NCCc3ccc(Cl)cc3)c2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide?
The InChIKey is KRYKGQQDACQJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-23-14-6-7-17-15(10-14)16(11-21-17)18(22)20-9-8-12-2-4-13(19)5-3-12/h2-7,10-11,21H,8-9H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).