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

C24H19ClN4O — CID 86699438

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide
SMILESN#Cc1cccc(Nc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)c1
InChIInChI=1S/C24H19ClN4O/c25-19-7-8-23-22(13-19)18(15-28-23)9-10-27-24(30)17-4-2-6-21(12-17)29-20-5-1-3-16(11-20)14-26/h1-8,11-13,15,28-29H,9-10H2,(H,27,30)
InChIKeyHOHPLBPAUAONIC-UHFFFAOYSA-N
MW414.90 g/mol
LogP5.41
Rot. Bonds6

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide (PubChem CID 86699438) has the molecular formula C24H19ClN4O and a molecular weight of 414.90 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide
PubChem CID86699438
Molecular FormulaC24H19ClN4O
Molecular Weight414.90 g/mol
Exact Mass414.12
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide
SMILESN#Cc1cccc(Nc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)c1
InChIInChI=1S/C24H19ClN4O/c25-19-7-8-23-22(13-19)18(15-28-23)9-10-27-24(30)17-4-2-6-21(12-17)29-20-5-1-3-16(11-20)14-26/h1-8,11-13,15,28-29H,9-10H2,(H,27,30)
InChIKeyHOHPLBPAUAONIC-UHFFFAOYSA-N
XLogP5.41
TPSA80.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.90
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-cyanophenyl)methyl]benzamide
CID 67974504
N-[3-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]phenyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 50787302
5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109193546
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(2-cyanophenyl)benzamide
CID 67973487
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide
CID 86699433
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide
CID 67974093

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide (CID 86699438) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide is N#Cc1cccc(Nc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)c1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide?
The InChIKey is HOHPLBPAUAONIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O/c25-19-7-8-23-22(13-19)18(15-28-23)9-10-27-24(30)17-4-2-6-21(12-17)29-20-5-1-3-16(11-20)14-26/h1-8,11-13,15,28-29H,9-10H2,(H,27,30).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide has a molecular weight of 414.90 g/mol, XLogP of 5.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-cyanoanilino)benzamide is sourced from PubChem (CID 86699438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).