2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide

C25H21ClN2O2 — CID 164781411

IUPAC2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)Cn1cc(C(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C25H21ClN2O2/c1-17-6-2-3-7-19(17)14-27-24(29)16-28-15-22(21-8-4-5-9-23(21)28)25(30)18-10-12-20(26)13-11-18/h2-13,15H,14,16H2,1H3,(H,27,29)
InChIKeyWIWWLSIRMXBFQI-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.15
Rot. Bonds6

About 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide

2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 164781411) has the molecular formula C25H21ClN2O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID164781411
Molecular FormulaC25H21ClN2O2
Molecular Weight416.91 g/mol
Exact Mass416.13
IUPAC Name2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)Cn1cc(C(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C25H21ClN2O2/c1-17-6-2-3-7-19(17)14-27-24(29)16-28-15-22(21-8-4-5-9-23(21)28)25(30)18-10-12-20(26)13-11-18/h2-13,15H,14,16H2,1H3,(H,27,29)
InChIKeyWIWWLSIRMXBFQI-UHFFFAOYSA-N
XLogP5.15
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 2953381
2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 1089001
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46357424
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8693460
2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 60560991
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one
CID 164961814
methyl 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]indole-3-carboxylate
CID 34232696
(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911124
2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 5302279

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide (CID 164781411) is 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)Cn1cc(C(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is WIWWLSIRMXBFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2/c1-17-6-2-3-7-19(17)14-27-24(29)16-28-15-22(21-8-4-5-9-23(21)28)25(30)18-10-12-20(26)13-11-18/h2-13,15H,14,16H2,1H3,(H,27,29).
What are the key properties of 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 416.91 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 164781411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).