2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide

C22H20ClN3O2 — CID 16553153

IUPAC2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
SMILESCc1ccc(Cl)cc1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H20ClN3O2/c1-15-11-12-16(23)13-20(15)24-14-21(27)26-19-10-6-5-9-18(19)22(28)25-17-7-3-2-4-8-17/h2-13,24H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyFCJISHQPCFNJDT-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.95
Rot. Bonds6

About 2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide

2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide (PubChem CID 16553153) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
PubChem CID16553153
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
SMILESCc1ccc(Cl)cc1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H20ClN3O2/c1-15-11-12-16(23)13-20(15)24-14-21(27)26-19-10-6-5-9-18(19)22(28)25-17-7-3-2-4-8-17/h2-13,24H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyFCJISHQPCFNJDT-UHFFFAOYSA-N
XLogP4.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide 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

2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105872
2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 26438041
2-(5-chloro-2-methylanilino)-N-(2-chlorophenyl)acetamide
CID 9102932
2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105938
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
2-(5-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 2541105
2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide
CID 18228642
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
2-(2-acetylanilino)-N-(5-chloro-2-fluorophenyl)acetamide
CID 46633480
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54819153
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
CID 9102968

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide (CID 16553153) is 2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide is Cc1ccc(Cl)cc1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide?
The InChIKey is FCJISHQPCFNJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-15-11-12-16(23)13-20(15)24-14-21(27)26-19-10-6-5-9-18(19)22(28)25-17-7-3-2-4-8-17/h2-13,24H,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide?
2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide has a molecular weight of 393.87 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 16553153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).