N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide

C17H13BrCl2N2O — CID 155563944

IUPACN-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide
SMILESO=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13BrCl2N2O/c18-12-2-4-16-13(8-12)11(9-22-16)5-6-21-17(23)10-1-3-14(19)15(20)7-10/h1-4,7-9,22H,5-6H2,(H,21,23)
InChIKeyKFYBWABVUYGOQK-UHFFFAOYSA-N
MW412.11 g/mol
LogP5.21
Rot. Bonds4

About N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide

N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide (PubChem CID 155563944) has the molecular formula C17H13BrCl2N2O and a molecular weight of 412.11 g/mol. Its IUPAC name is N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide
PubChem CID155563944
Molecular FormulaC17H13BrCl2N2O
Molecular Weight412.11 g/mol
Exact Mass409.96
IUPAC NameN-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide
SMILESO=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13BrCl2N2O/c18-12-2-4-16-13(8-12)11(9-22-16)5-6-21-17(23)10-1-3-14(19)15(20)7-10/h1-4,7-9,22H,5-6H2,(H,21,23)
InChIKeyKFYBWABVUYGOQK-UHFFFAOYSA-N
XLogP5.21
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.11
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide
CID 167764059
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide
CID 155518400
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 46899094
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 141441300
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
CID 113083843
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide
CID 17272039

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide (CID 155563944) is N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide is O=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide?
The InChIKey is KFYBWABVUYGOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrCl2N2O/c18-12-2-4-16-13(8-12)11(9-22-16)5-6-21-17(23)10-1-3-14(19)15(20)7-10/h1-4,7-9,22H,5-6H2,(H,21,23).
What are the key properties of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide?
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide has a molecular weight of 412.11 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 155563944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).