7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide

C21H21ClN2O — CID 108791657

IUPAC7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cccc(Cl)c2[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H21ClN2O/c1-13(15-10-9-14-5-2-3-6-16(14)11-15)23-21(25)19-12-17-7-4-8-18(22)20(17)24-19/h4,7-13,24H,2-3,5-6H2,1H3,(H,23,25)
InChIKeyCLTICFQCYGLWGO-UHFFFAOYSA-N
MW352.87 g/mol
LogP5.19
Rot. Bonds3

About 7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide

7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 108791657) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID108791657
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cccc(Cl)c2[nH]1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H21ClN2O/c1-13(15-10-9-14-5-2-3-6-16(14)11-15)23-21(25)19-12-17-7-4-8-18(22)20(17)24-19/h4,7-13,24H,2-3,5-6H2,1H3,(H,23,25)
InChIKeyCLTICFQCYGLWGO-UHFFFAOYSA-N
XLogP5.19
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.87
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2941760
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038
7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 108791722
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 133190853
3-methoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2201463
4-[(2-chlorophenyl)methoxy]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190710
N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
CID 118425243
2-methylsulfanyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 99644786
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51497914
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 133189144
2-chloro-4-nitro-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 8820241

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide (CID 108791657) is 7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cccc(Cl)c2[nH]1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is CLTICFQCYGLWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-13(15-10-9-14-5-2-3-6-16(14)11-15)23-21(25)19-12-17-7-4-8-18(22)20(17)24-19/h4,7-13,24H,2-3,5-6H2,1H3,(H,23,25).
What are the key properties of 7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide?
7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 352.87 g/mol, XLogP of 5.19, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 108791657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).