3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide

C20H24ClN3O2 — CID 54832806

IUPAC3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)CNCc2ccccc2Cl)c1
InChIInChI=1S/C20H24ClN3O2/c1-24(2)20(26)11-10-15-6-5-8-17(12-15)23-19(25)14-22-13-16-7-3-4-9-18(16)21/h3-9,12,22H,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyARHWYRBSKFUJMG-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.09
Rot. Bonds8

About 3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide

3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 54832806) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID54832806
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)CNCc2ccccc2Cl)c1
InChIInChI=1S/C20H24ClN3O2/c1-24(2)20(26)11-10-15-6-5-8-17(12-15)23-19(25)14-22-13-16-7-3-4-9-18(16)21/h3-9,12,22H,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyARHWYRBSKFUJMG-UHFFFAOYSA-N
XLogP3.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide (CID 54832806) is 3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1cccc(NC(=O)CNCc2ccccc2Cl)c1.
What is the InChIKey of 3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is ARHWYRBSKFUJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-24(2)20(26)11-10-15-6-5-8-17(12-15)23-19(25)14-22-13-16-7-3-4-9-18(16)21/h3-9,12,22H,10-11,13-14H2,1-2H3,(H,23,25).
What are the key properties of 3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 373.88 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 54832806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).