2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide

C18H17Cl3N2O2 — CID 113166982

IUPAC2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide
SMILESCC(=O)N(CCc1cccc(Cl)c1)CC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H17Cl3N2O2/c1-12(24)23(6-5-13-3-2-4-14(19)7-13)11-18(25)22-17-9-15(20)8-16(21)10-17/h2-4,7-10H,5-6,11H2,1H3,(H,22,25)
InChIKeyGOWAUIGDCPAWTN-UHFFFAOYSA-N
MW399.71 g/mol
LogP4.68
Rot. Bonds6

About 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide

2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 113166982) has the molecular formula C18H17Cl3N2O2 and a molecular weight of 399.71 g/mol. Its IUPAC name is 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide
PubChem CID113166982
Molecular FormulaC18H17Cl3N2O2
Molecular Weight399.71 g/mol
Exact Mass398.04
IUPAC Name2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide
SMILESCC(=O)N(CCc1cccc(Cl)c1)CC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H17Cl3N2O2/c1-12(24)23(6-5-13-3-2-4-14(19)7-13)11-18(25)22-17-9-15(20)8-16(21)10-17/h2-4,7-10H,5-6,11H2,1H3,(H,22,25)
InChIKeyGOWAUIGDCPAWTN-UHFFFAOYSA-N
XLogP4.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.71
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113166924
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113166959
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide
CID 113123250
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113164773
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide
CID 113161859
methyl 3-[[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]acetyl]amino]benzoate
CID 113165514
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164708
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166855
2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113167057
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113123194
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 113123179

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide (CID 113166982) is 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide is CC(=O)N(CCc1cccc(Cl)c1)CC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is GOWAUIGDCPAWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O2/c1-12(24)23(6-5-13-3-2-4-14(19)7-13)11-18(25)22-17-9-15(20)8-16(21)10-17/h2-4,7-10H,5-6,11H2,1H3,(H,22,25).
What are the key properties of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide?
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 399.71 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 113166982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).