N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide

C23H20Cl2N2O3 — CID 23911990

IUPACN-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESCCCCN1C(=O)c2cccc3c(NC(=O)COc4ccc(Cl)cc4Cl)ccc1c23
InChIInChI=1S/C23H20Cl2N2O3/c1-2-3-11-27-19-9-8-18(15-5-4-6-16(22(15)19)23(27)29)26-21(28)13-30-20-10-7-14(24)12-17(20)25/h4-10,12H,2-3,11,13H2,1H3,(H,26,28)
InChIKeyFPCDILIIPOLSNL-UHFFFAOYSA-N
MW443.33 g/mol
LogP5.92
Rot. Bonds7

About N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide

N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 23911990) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide
PubChem CID23911990
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC NameN-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESCCCCN1C(=O)c2cccc3c(NC(=O)COc4ccc(Cl)cc4Cl)ccc1c23
InChIInChI=1S/C23H20Cl2N2O3/c1-2-3-11-27-19-9-8-18(15-5-4-6-16(22(15)19)23(27)29)26-21(28)13-30-20-10-7-14(24)12-17(20)25/h4-10,12H,2-3,11,13H2,1H3,(H,26,28)
InChIKeyFPCDILIIPOLSNL-UHFFFAOYSA-N
XLogP5.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2,6-difluorobenzamide
CID 7136429
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide
CID 3990187
2-(2,4-dichlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
CID 3974459
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide
CID 3238683
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41323898
2-(2,4-dichlorophenoxy)-N-[4-(dimethylamino)naphthalen-1-yl]acetamide
CID 1343301
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 1361275
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161184
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
5-chloro-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 122187999
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide
CID 4155639

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide (CID 23911990) is N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide is CCCCN1C(=O)c2cccc3c(NC(=O)COc4ccc(Cl)cc4Cl)ccc1c23.
What is the InChIKey of N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is FPCDILIIPOLSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-2-3-11-27-19-9-8-18(15-5-4-6-16(22(15)19)23(27)29)26-21(28)13-30-20-10-7-14(24)12-17(20)25/h4-10,12H,2-3,11,13H2,1H3,(H,26,28).
What are the key properties of N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide?
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 443.33 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 23911990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).