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

C18H17Cl3N2O2 — CID 113165529

IUPAC2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide
SMILESCC(=O)N(CCc1ccc(Cl)cc1)CC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H17Cl3N2O2/c1-12(24)23(10-9-13-5-7-14(19)8-6-13)11-17(25)22-16-4-2-3-15(20)18(16)21/h2-8H,9-11H2,1H3,(H,22,25)
InChIKeyZFQNRJKNCMPPLT-UHFFFAOYSA-N
MW399.71 g/mol
LogP4.68
Rot. Bonds6

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

2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 113165529) has the molecular formula C18H17Cl3N2O2 and a molecular weight of 399.71 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide
PubChem CID113165529
Molecular FormulaC18H17Cl3N2O2
Molecular Weight399.71 g/mol
Exact Mass398.04
IUPAC Name2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide
SMILESCC(=O)N(CCc1ccc(Cl)cc1)CC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H17Cl3N2O2/c1-12(24)23(10-9-13-5-7-14(19)8-6-13)11-17(25)22-16-4-2-3-15(20)18(16)21/h2-8H,9-11H2,1H3,(H,22,25)
InChIKeyZFQNRJKNCMPPLT-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-(4-chlorophenyl)ethyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113165494
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-fluorophenyl)acetamide
CID 113164409
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113165479
methyl 3-[[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]acetyl]amino]benzoate
CID 113165514
N-(2,3-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 109001465
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113164244
2-[acetyl(cyclopropyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158482
2-[acetyl(propan-2-yl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158283
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121992
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide
CID 113116857
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 113166982
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide
CID 113162771

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide (CID 113165529) is 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide is CC(=O)N(CCc1ccc(Cl)cc1)CC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is ZFQNRJKNCMPPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O2/c1-12(24)23(10-9-13-5-7-14(19)8-6-13)11-17(25)22-16-4-2-3-15(20)18(16)21/h2-8H,9-11H2,1H3,(H,22,25).
What are the key properties of 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide?
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-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-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 113165529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).