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

C18H17ClN2O2 — CID 113207205

IUPAC5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C18H17ClN2O2/c1-23-15-4-2-3-12(9-15)7-8-20-18(22)17-11-13-10-14(19)5-6-16(13)21-17/h2-6,9-11,21H,7-8H2,1H3,(H,20,22)
InChIKeyMGAVFXCEJVZYPQ-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.80
Rot. Bonds5

About 5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide

5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 113207205) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID113207205
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C18H17ClN2O2/c1-23-15-4-2-3-12(9-15)7-8-20-18(22)17-11-13-10-14(19)5-6-16(13)21-17/h2-6,9-11,21H,7-8H2,1H3,(H,20,22)
InChIKeyMGAVFXCEJVZYPQ-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-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207539
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107843328
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207545
2-(6-chloro-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113209744
N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529557
N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331318
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methoxy-1H-indole-2-carboxamide
CID 22418098
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
CID 46559753

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide (CID 113207205) is 5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide is COc1cccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)c1.
What is the InChIKey of 5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is MGAVFXCEJVZYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-23-15-4-2-3-12(9-15)7-8-20-18(22)17-11-13-10-14(19)5-6-16(13)21-17/h2-6,9-11,21H,7-8H2,1H3,(H,20,22).
What are the key properties of 5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
5-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 5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 113207205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).