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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Related Compounds

N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54810691
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
2-[(2-chlorophenyl)methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 54832861
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
3-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54819261
3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845549
N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide
CID 54812065
3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 43912106
N,N-dimethyl-3-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841512

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).