2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide

C18H18Cl2N2O3 — CID 113172670

IUPAC2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccccc2Cl)C(C)=O)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c1-12(23)22(14-7-8-17(25-2)16(20)9-14)11-18(24)21-10-13-5-3-4-6-15(13)19/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyVIXZLEALYDNGRE-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.67
Rot. Bonds6

About 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide

2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 113172670) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID113172670
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccccc2Cl)C(C)=O)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c1-12(23)22(14-7-8-17(25-2)16(20)9-14)11-18(24)21-10-13-5-3-4-6-15(13)19/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyVIXZLEALYDNGRE-UHFFFAOYSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113130211
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 982667
2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 113176222
N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide
CID 113175577
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 113172743
N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide
CID 113172756
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113172682
2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174845
2-(N-acetyl-4-ethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113169240
2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113170122
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113164509

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide (CID 113172670) is 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide is COc1ccc(N(CC(=O)NCc2ccccc2Cl)C(C)=O)cc1Cl.
What is the InChIKey of 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is VIXZLEALYDNGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-12(23)22(14-7-8-17(25-2)16(20)9-14)11-18(24)21-10-13-5-3-4-6-15(13)19/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide?
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 381.26 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 113172670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).