2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide

C20H22ClN3O2 — CID 42125339

IUPAC2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide
SMILESCc1cc(C)c(NCC(=O)Nc2ccccc2C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c1-12-9-13(2)19(16(21)10-12)22-11-18(25)24-17-6-4-3-5-15(17)20(26)23-14-7-8-14/h3-6,9-10,14,22H,7-8,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyFPQKLRMKBOBLBP-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.90
Rot. Bonds6

About 2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide

2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 42125339) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide
PubChem CID42125339
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide
SMILESCc1cc(C)c(NCC(=O)Nc2ccccc2C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c1-12-9-13(2)19(16(21)10-12)22-11-18(25)24-17-6-4-3-5-15(17)20(26)23-14-7-8-14/h3-6,9-10,14,22H,7-8,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyFPQKLRMKBOBLBP-UHFFFAOYSA-N
XLogP3.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide 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-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
2-(2-chloro-4,6-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 42125159
2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide
CID 108993493
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 40715510
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
2-[[2-(4-carbamoylanilino)acetyl]amino]-N-cyclopropylbenzamide
CID 78793094
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535606
4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 55917777
N-cyclopropyl-2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 25353415
2-[[2-(4-chloro-3-nitroanilino)acetyl]amino]-N-cyclopentylbenzamide
CID 18283322
N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279897

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide (CID 42125339) is 2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide is Cc1cc(C)c(NCC(=O)Nc2ccccc2C(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is FPQKLRMKBOBLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-12-9-13(2)19(16(21)10-12)22-11-18(25)24-17-6-4-3-5-15(17)20(26)23-14-7-8-14/h3-6,9-10,14,22H,7-8,11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide?
2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 371.87 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 42125339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).