2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide

C20H22ClN3O2 — CID 9040816

IUPAC2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O2/c1-24(12-14-6-8-15(21)9-7-14)13-19(25)23-18-5-3-2-4-17(18)20(26)22-16-10-11-16/h2-9,16H,10-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyUHIFULZZKSPPDX-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.30
Rot. Bonds7

About 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide

2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 9040816) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
PubChem CID9040816
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O2/c1-24(12-14-6-8-15(21)9-7-14)13-19(25)23-18-5-3-2-4-17(18)20(26)22-16-10-11-16/h2-9,16H,10-13H2,1H3,(H,22,26)(H,23,25)
InChIKeyUHIFULZZKSPPDX-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[(4-chlorophenyl)methyl-methylamino]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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide (CID 9040816) is 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide is CN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is UHIFULZZKSPPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-24(12-14-6-8-15(21)9-7-14)13-19(25)23-18-5-3-2-4-17(18)20(26)22-16-10-11-16/h2-9,16H,10-13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide?
2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 371.87 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorophenyl)methyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 9040816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).