ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate

C24H20ClN3O3 — CID 53114196

IUPACethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C24H20ClN3O3/c1-2-31-23(29)18-8-4-6-10-20(18)27-24(30)28-22-17-7-3-5-9-19(17)26-21(22)15-11-13-16(25)14-12-15/h3-14,26H,2H2,1H3,(H2,27,28,30)
InChIKeyNWSWROUGECSWPP-UHFFFAOYSA-N
MW433.90 g/mol
LogP6.31
Rot. Bonds5

About ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate

ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate (PubChem CID 53114196) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate
PubChem CID53114196
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Nameethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C24H20ClN3O3/c1-2-31-23(29)18-8-4-6-10-20(18)27-24(30)28-22-17-7-3-5-9-19(17)26-21(22)15-11-13-16(25)14-12-15/h3-14,26H,2H2,1H3,(H2,27,28,30)
InChIKeyNWSWROUGECSWPP-UHFFFAOYSA-N
XLogP6.31
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate 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

ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
1-(2-methoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
CID 53114255
1-(3-chlorophenyl)-3-[2-(4-ethylphenyl)-1H-indol-3-yl]urea
CID 53054162
ethyl 2-[[3-[(4-chlorophenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946830
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202
ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate
CID 108991922
ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 16651463
1-(2,5-dimethoxyphenyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]urea
CID 53114266
ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate
CID 113208895
ethyl 2-[(2-chlorobenzenecarbothioyl)amino]benzoate
CID 170842399

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate?
The IUPAC name of ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate (CID 53114196) is ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate?
The canonical SMILES for ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)Nc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate?
The InChIKey is NWSWROUGECSWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-2-31-23(29)18-8-4-6-10-20(18)27-24(30)28-22-17-7-3-5-9-19(17)26-21(22)15-11-13-16(25)14-12-15/h3-14,26H,2H2,1H3,(H2,27,28,30).
What are the key properties of ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate?
ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate has a molecular weight of 433.90 g/mol, XLogP of 6.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate is sourced from PubChem (CID 53114196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).