6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide

C18H17ClN2O2 — CID 113207539

IUPAC6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C18H17ClN2O2/c1-23-15-4-2-3-12(9-15)7-8-20-18(22)17-10-13-5-6-14(19)11-16(13)21-17/h2-6,9-11,21H,7-8H2,1H3,(H,20,22)
InChIKeySBJLAIZAAPQWLE-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.80
Rot. Bonds5

About 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide

6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 113207539) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID113207539
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C18H17ClN2O2/c1-23-15-4-2-3-12(9-15)7-8-20-18(22)17-10-13-5-6-14(19)11-16(13)21-17/h2-6,9-11,21H,7-8H2,1H3,(H,20,22)
InChIKeySBJLAIZAAPQWLE-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

5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207205
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207545
N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529557
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107843328
N-[2-(4-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529043
2-(6-chloro-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113209744
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid
CID 75417841

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide (CID 113207539) is 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide is COc1cccc(CCNC(=O)c2cc3ccc(Cl)cc3[nH]2)c1.
What is the InChIKey of 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is SBJLAIZAAPQWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-23-15-4-2-3-12(9-15)7-8-20-18(22)17-10-13-5-6-14(19)11-16(13)21-17/h2-6,9-11,21H,7-8H2,1H3,(H,20,22).
What are the key properties of 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-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 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 113207539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).