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

C19H19ClN2O — CID 17271786

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1C
InChIInChI=1S/C19H19ClN2O/c1-12-3-4-14(9-13(12)2)19(23)21-8-7-15-11-22-18-6-5-16(20)10-17(15)18/h3-6,9-11,22H,7-8H2,1-2H3,(H,21,23)
InChIKeyHFVLXEAWQQWNCH-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.41
Rot. Bonds4

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide (PubChem CID 17271786) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
PubChem CID17271786
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1C
InChIInChI=1S/C19H19ClN2O/c1-12-3-4-14(9-13(12)2)19(23)21-8-7-15-11-22-18-6-5-16(20)10-17(15)18/h3-6,9-11,22H,7-8H2,1-2H3,(H,21,23)
InChIKeyHFVLXEAWQQWNCH-UHFFFAOYSA-N
XLogP4.41
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide
CID 17272039
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 67974603
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 19589810
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide
CID 67974093
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
CID 113083843
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424
5-chloro-2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 2988910
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39309401
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(2-cyanophenyl)benzamide
CID 67973487

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide (CID 17271786) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1C.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide?
The InChIKey is HFVLXEAWQQWNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-12-3-4-14(9-13(12)2)19(23)21-8-7-15-11-22-18-6-5-16(20)10-17(15)18/h3-6,9-11,22H,7-8H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide has a molecular weight of 326.83 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 17271786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).