3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide

C16H14ClN3O — CID 157203662

IUPAC3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC2=Nc3cc(Cl)ccc3C2)c1
InChIInChI=1S/C16H14ClN3O/c1-18-16(21)11-3-2-4-13(7-11)19-15-8-10-5-6-12(17)9-14(10)20-15/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyDLZOOZCVQLQUCJ-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.40
Rot. Bonds2

About 3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide

3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide (PubChem CID 157203662) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide
PubChem CID157203662
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC2=Nc3cc(Cl)ccc3C2)c1
InChIInChI=1S/C16H14ClN3O/c1-18-16(21)11-3-2-4-13(7-11)19-15-8-10-5-6-12(17)9-14(10)20-15/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyDLZOOZCVQLQUCJ-UHFFFAOYSA-N
XLogP3.40
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide 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

3-[(6-chloro-5-nitro-3H-indol-2-yl)amino]-N-methylbenzamide
CID 158760092
3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide
CID 158760093
3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide
CID 149003619
3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 104854341
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide
CID 43100379
3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
CID 43000556
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-methylbenzamide
CID 88571946
3-[[4-[4-(4-chlorophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312572
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51167571
5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 37340877
3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8578482

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide?
The IUPAC name of 3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide (CID 157203662) is 3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide?
The canonical SMILES for 3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide is CNC(=O)c1cccc(NC2=Nc3cc(Cl)ccc3C2)c1.
What is the InChIKey of 3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide?
The InChIKey is DLZOOZCVQLQUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-18-16(21)11-3-2-4-13(7-11)19-15-8-10-5-6-12(17)9-14(10)20-15/h2-7,9H,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide?
3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide has a molecular weight of 299.76 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 157203662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).