3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide

C20H24ClN3O3 — CID 119049014

IUPAC3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CN(CCO)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C20H24ClN3O3/c1-23(2)20(27)16-6-4-8-18(12-16)22-19(26)14-24(9-10-25)13-15-5-3-7-17(21)11-15/h3-8,11-12,25H,9-10,13-14H2,1-2H3,(H,22,26)
InChIKeyLQERFGYBLUSKAS-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.47
Rot. Bonds8

About 3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide

3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 119049014) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID119049014
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CN(CCO)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C20H24ClN3O3/c1-23(2)20(27)16-6-4-8-18(12-16)22-19(26)14-24(9-10-25)13-15-5-3-7-17(21)11-15/h3-8,11-12,25H,9-10,13-14H2,1-2H3,(H,22,26)
InChIKeyLQERFGYBLUSKAS-UHFFFAOYSA-N
XLogP2.47
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 27795286
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29331543
3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 33437863
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
CID 60685456
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N,N-dimethyl-3-[[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]amino]benzamide
CID 34598248
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 54879755
3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide
CID 111423290

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide (CID 119049014) is 3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)CN(CCO)Cc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is LQERFGYBLUSKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-23(2)20(27)16-6-4-8-18(12-16)22-19(26)14-24(9-10-25)13-15-5-3-7-17(21)11-15/h3-8,11-12,25H,9-10,13-14H2,1-2H3,(H,22,26).
What are the key properties of 3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 389.88 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3-chlorophenyl)methyl-(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 119049014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).