N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide

C18H18Cl2N2O4 — CID 113001558

IUPACN-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
SMILESCOc1cc(NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c(OC)cc1Cl
InChIInChI=1S/C18H18Cl2N2O4/c1-25-15-9-14(16(26-2)8-13(15)20)22-18(24)10-21-17(23)7-11-3-5-12(19)6-4-11/h3-6,8-9H,7,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQJNZLJTWIYMDFY-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.31
Rot. Bonds7

About N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide

N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 113001558) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
PubChem CID113001558
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC NameN-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
SMILESCOc1cc(NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c(OC)cc1Cl
InChIInChI=1S/C18H18Cl2N2O4/c1-25-15-9-14(16(26-2)8-13(15)20)22-18(24)10-21-17(23)7-11-3-5-12(19)6-4-11/h3-6,8-9H,7,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQJNZLJTWIYMDFY-UHFFFAOYSA-N
XLogP3.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 8501521
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
CID 113001547
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 113001550
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113001562
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17378547
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946828
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999225

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide (CID 113001558) is N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide is COc1cc(NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c(OC)cc1Cl.
What is the InChIKey of N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is QJNZLJTWIYMDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-25-15-9-14(16(26-2)8-13(15)20)22-18(24)10-21-17(23)7-11-3-5-12(19)6-4-11/h3-6,8-9H,7,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide?
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 397.26 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113001558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).