4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane

C19H21ClN2O — CID 142538967

IUPAC4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane
SMILESCC.Cc1cn(Cc2ccc(C(N)=O)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C17H15ClN2O.C2H6/c1-11-9-20(16-7-6-14(18)8-15(11)16)10-12-2-4-13(5-3-12)17(19)21;1-2/h2-9H,10H2,1H3,(H2,19,21);1-2H3
InChIKeyYSGLFUUAKITDFG-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.78
Rot. Bonds3

About 4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane

4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane (PubChem CID 142538967) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane.

Molecular Properties

Compound Name4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane
PubChem CID142538967
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane
SMILESCC.Cc1cn(Cc2ccc(C(N)=O)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C17H15ClN2O.C2H6/c1-11-9-20(16-7-6-14(18)8-15(11)16)10-12-2-4-13(5-3-12)17(19)21;1-2/h2-9H,10H2,1H3,(H2,19,21);1-2H3
InChIKeyYSGLFUUAKITDFG-UHFFFAOYSA-N
XLogP4.78
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane
CID 142538861
[4-[(5-carbamoyl-3-methylindol-1-yl)methyl]phenyl]boronic acid
CID 155710977
5-chloro-1-ethyl-3-methylindole
CID 23383492
3-acetyl-1-benzylindole-5-carboxamide
CID 22382729
1-benzyl-5-chloroindole-3-carboxylic acid
CID 10565097
methyl 4-[(3-methylindol-1-yl)methyl]benzoate
CID 43316679
5-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylindole
CID 142538843
4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]benzamide
CID 10181188
4-[(4-chloro-2-methylanilino)methyl]benzamide
CID 43234717
1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide
CID 145267445
5-chloro-1-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]indole-3-carboxamide
CID 10620409
4-(1-benzyl-5-chloroindol-3-yl)-4-hydroxybut-3-en-2-one
CID 74062179

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane?
The IUPAC name of 4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane (CID 142538967) is 4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane.
What is the SMILES notation for 4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane?
The canonical SMILES for 4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane is CC.Cc1cn(Cc2ccc(C(N)=O)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane?
The InChIKey is YSGLFUUAKITDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O.C2H6/c1-11-9-20(16-7-6-14(18)8-15(11)16)10-12-2-4-13(5-3-12)17(19)21;1-2/h2-9H,10H2,1H3,(H2,19,21);1-2H3.
What are the key properties of 4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane?
4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane has a molecular weight of 328.84 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-methylindol-1-yl)methyl]benzamide;ethane is sourced from PubChem (CID 142538967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).