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

C24H21ClN2O2 — CID 67973567

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)c1
InChIInChI=1S/C24H21ClN2O2/c1-29-21-4-2-3-18(13-21)16-5-7-17(8-6-16)24(28)26-12-11-19-15-27-23-10-9-20(25)14-22(19)23/h2-10,13-15,27H,11-12H2,1H3,(H,26,28)
InChIKeyVBHABGNCBOKLJQ-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.47
Rot. Bonds6

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)benzamide (PubChem CID 67973567) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)benzamide
PubChem CID67973567
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)c1
InChIInChI=1S/C24H21ClN2O2/c1-29-21-4-2-3-18(13-21)16-5-7-17(8-6-16)24(28)26-12-11-19-15-27-23-10-9-20(25)14-22(19)23/h2-10,13-15,27H,11-12H2,1H3,(H,26,28)
InChIKeyVBHABGNCBOKLJQ-UHFFFAOYSA-N
XLogP5.47
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)benzamide (CID 67973567) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)benzamide is COc1cccc(-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-methoxyphenyl)benzamide?
The InChIKey is VBHABGNCBOKLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-29-21-4-2-3-18(13-21)16-5-7-17(8-6-16)24(28)26-12-11-19-15-27-23-10-9-20(25)14-22(19)23/h2-10,13-15,27H,11-12H2,1H3,(H,26,28).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)benzamide has a molecular weight of 404.90 g/mol, XLogP of 5.47, 6 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-methoxyphenyl)benzamide is sourced from PubChem (CID 67973567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).