N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide

C23H16Cl2N2O2 — CID 5303659

IUPACN-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
SMILESO=C(Nc1ccccc1Cl)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C23H16Cl2N2O2/c24-16-11-9-15(10-12-16)13-27-14-18(17-5-1-4-8-21(17)27)22(28)23(29)26-20-7-3-2-6-19(20)25/h1-12,14H,13H2,(H,26,29)
InChIKeyUDPHKPGCMHHJNK-UHFFFAOYSA-N
MW423.30 g/mol
LogP5.82
Rot. Bonds5

About N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide

N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide (PubChem CID 5303659) has the molecular formula C23H16Cl2N2O2 and a molecular weight of 423.30 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
PubChem CID5303659
Molecular FormulaC23H16Cl2N2O2
Molecular Weight423.30 g/mol
Exact Mass422.06
IUPAC NameN-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
SMILESO=C(Nc1ccccc1Cl)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C23H16Cl2N2O2/c24-16-11-9-15(10-12-16)13-27-14-18(17-5-1-4-8-21(17)27)22(28)23(29)26-20-7-3-2-6-19(20)25/h1-12,14H,13H2,(H,26,29)
InChIKeyUDPHKPGCMHHJNK-UHFFFAOYSA-N
XLogP5.82
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]benzamide
CID 10181188
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride
CID 10980477
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5147141
N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 23397151
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 5302284
1-[(4-chlorophenyl)methyl]indole;2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
CID 159566693
N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 46227998
N-(3-fluoro-2-methylphenyl)-2-oxo-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
CID 17234190
2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155797600
1-(4-benzylpiperazin-1-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethane-1,2-dione
CID 110173159
2-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-3-yl]-N-(3,5-dichloro-4-pyridinyl)-2-oxoacetamide
CID 110167947
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955150

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide (CID 5303659) is N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide is O=C(Nc1ccccc1Cl)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide?
The InChIKey is UDPHKPGCMHHJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O2/c24-16-11-9-15(10-12-16)13-27-14-18(17-5-1-4-8-21(17)27)22(28)23(29)26-20-7-3-2-6-19(20)25/h1-12,14H,13H2,(H,26,29).
What are the key properties of N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide?
N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide has a molecular weight of 423.30 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 5303659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).