N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C17H13ClN2O2 — CID 2987829

IUPACN-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1ccccc1Cl)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)
InChIKeyIIOHXNRYFRSQCK-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.32
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 2987829) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID2987829
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1ccccc1Cl)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22)
InChIKeyIIOHXNRYFRSQCK-UHFFFAOYSA-N
XLogP3.32
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Indibulin
CID 2929
Jwh 203
CID 44397500
SB 216763
CID 176158
CP-409092
CID 9839190
3-Acetylindole
CID 12802
Tryptamide
CID 65768
Benzotript
CID 2060890
1H-indole-3-carboxamide
CID 2192542
2-(4-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397532
Indole, 3-(dimethylaminoacetyl)-
CID 34863
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 2987829) is N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(NCc1ccccc1Cl)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is IIOHXNRYFRSQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-14-7-3-1-5-11(14)9-20-17(22)16(21)13-10-19-15-8-4-2-6-12(13)15/h1-8,10,19H,9H2,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 312.76 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 2987829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).