2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide

C19H20Cl2N2O3 — CID 113164773

IUPAC2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
SMILESCOc1cccc(CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(C)=O)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-13(24)23(9-8-14-4-3-5-16(10-14)26-2)12-19(25)22-15-6-7-17(20)18(21)11-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,25)
InChIKeyJDZPWDMKSPRXCN-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.03
Rot. Bonds7

About 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide

2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 113164773) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
PubChem CID113164773
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
SMILESCOc1cccc(CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(C)=O)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-13(24)23(9-8-14-4-3-5-16(10-14)26-2)12-19(25)22-15-6-7-17(20)18(21)11-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,25)
InChIKeyJDZPWDMKSPRXCN-UHFFFAOYSA-N
XLogP4.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164708
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113164764
N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948741
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113164665
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide
CID 113121447
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113160562
2-[acetyl(3-methoxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113160118
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113166959
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 113166982
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide
CID 113164636
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287
ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
CID 113164779

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide (CID 113164773) is 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide is COc1cccc(CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(C)=O)c1.
What is the InChIKey of 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is JDZPWDMKSPRXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-13(24)23(9-8-14-4-3-5-16(10-14)26-2)12-19(25)22-15-6-7-17(20)18(21)11-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,25).
What are the key properties of 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide?
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 395.29 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 113164773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).