N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide

C24H18ClN3O — CID 57379031

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide
SMILESN#Cc1cccc(-c2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)c1
InChIInChI=1S/C24H18ClN3O/c25-21-8-9-23-22(13-21)20(15-28-23)10-11-27-24(29)18-6-4-17(5-7-18)19-3-1-2-16(12-19)14-26/h1-9,12-13,15,28H,10-11H2,(H,27,29)
InChIKeyNEYKEIKLQXCGML-UHFFFAOYSA-N
MW399.88 g/mol
LogP5.33
Rot. Bonds5

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide (PubChem CID 57379031) has the molecular formula C24H18ClN3O and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide
PubChem CID57379031
Molecular FormulaC24H18ClN3O
Molecular Weight399.88 g/mol
Exact Mass399.11
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide
SMILESN#Cc1cccc(-c2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)c1
InChIInChI=1S/C24H18ClN3O/c25-21-8-9-23-22(13-21)20(15-28-23)10-11-27-24(29)18-6-4-17(5-7-18)19-3-1-2-16(12-19)14-26/h1-9,12-13,15,28H,10-11H2,(H,27,29)
InChIKeyNEYKEIKLQXCGML-UHFFFAOYSA-N
XLogP5.33
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 33625
Indoramin hydrochloride
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Mk-3577
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N-(2-(1H-indol-3-yl)ethyl)benzamide
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Gsk983
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N-(cyanomethyl)-2-[3-(1H-indol-6-yl)phenyl]-4-methylpentanamide
CID 10893343
3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
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(r)n-(6-Cyano-2,2-dimethyl-2,3-dihydro-1h-inden-1-yl)-5-chloro-1h-indole-2-carboxamide
CID 25141102
3-chloro-N-((1R,2S)-2-(4-(2-oxopyrazin-1(2H)-yl)benzamido)cyclohexyl)-1H-indole-6-carboxamide
CID 44432527
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CID 63718419

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide (CID 57379031) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide is N#Cc1cccc(-c2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)c1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide?
The InChIKey is NEYKEIKLQXCGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O/c25-21-8-9-23-22(13-21)20(15-28-23)10-11-27-24(29)18-6-4-17(5-7-18)19-3-1-2-16(12-19)14-26/h1-9,12-13,15,28H,10-11H2,(H,27,29).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide has a molecular weight of 399.88 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-cyanophenyl)benzamide is sourced from PubChem (CID 57379031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).