2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide

C17H14Cl2N2O — CID 113209503

IUPAC2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1c[nH]c2ccc(Cl)cc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N2O/c18-13-3-1-11(2-4-13)9-21-17(22)7-12-10-20-16-6-5-14(19)8-15(12)16/h1-6,8,10,20H,7,9H2,(H,21,22)
InChIKeyJSCUFSHSJIKALU-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.33
Rot. Bonds4

About 2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide

2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 113209503) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID113209503
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1c[nH]c2ccc(Cl)cc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N2O/c18-13-3-1-11(2-4-13)9-21-17(22)7-12-10-20-16-6-5-14(19)8-15(12)16/h1-6,8,10,20H,7,9H2,(H,21,22)
InChIKeyJSCUFSHSJIKALU-UHFFFAOYSA-N
XLogP4.33
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 110625376
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730
2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
CID 110611810
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
2-(5-chloro-1H-indol-3-yl)acetate
CID 21122976
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58842077
2-(5-chloro-1H-indol-3-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 111697345

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide (CID 113209503) is 2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide is O=C(Cc1c[nH]c2ccc(Cl)cc12)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is JSCUFSHSJIKALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c18-13-3-1-11(2-4-13)9-21-17(22)7-12-10-20-16-6-5-14(19)8-15(12)16/h1-6,8,10,20H,7,9H2,(H,21,22).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide?
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 333.22 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 113209503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).