2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide

C17H14Cl2N2O — CID 5096662

IUPAC2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
SMILESCc1cc2cc(CNC(=O)c3ccc(Cl)cc3Cl)ccc2[nH]1
InChIInChI=1S/C17H14Cl2N2O/c1-10-6-12-7-11(2-5-16(12)21-10)9-20-17(22)14-4-3-13(18)8-15(14)19/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyJYMXSWATNAJQCP-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.71
Rot. Bonds3

About 2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide

2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide (PubChem CID 5096662) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
PubChem CID5096662
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
SMILESCc1cc2cc(CNC(=O)c3ccc(Cl)cc3Cl)ccc2[nH]1
InChIInChI=1S/C17H14Cl2N2O/c1-10-6-12-7-11(2-5-16(12)21-10)9-20-17(22)14-4-3-13(18)8-15(14)19/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyJYMXSWATNAJQCP-UHFFFAOYSA-N
XLogP4.71
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096420
3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 167798638
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042465
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide
CID 110604340
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide (CID 5096662) is 2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide is Cc1cc2cc(CNC(=O)c3ccc(Cl)cc3Cl)ccc2[nH]1.
What is the InChIKey of 2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
The InChIKey is JYMXSWATNAJQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-10-6-12-7-11(2-5-16(12)21-10)9-20-17(22)14-4-3-13(18)8-15(14)19/h2-8,21H,9H2,1H3,(H,20,22).
What are the key properties of 2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide?
2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide has a molecular weight of 333.22 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide is sourced from PubChem (CID 5096662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).