2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide

C19H18ClN3O4 — CID 113180281

IUPAC2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide
SMILESCOc1cc(N(CC(=O)Nc2ccc(C#N)cc2)C(C)=O)c(OC)cc1Cl
InChIInChI=1S/C19H18ClN3O4/c1-12(24)23(16-9-17(26-2)15(20)8-18(16)27-3)11-19(25)22-14-6-4-13(10-21)5-7-14/h4-9H,11H2,1-3H3,(H,22,25)
InChIKeyJZYPKVXTQZJHLP-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.22
Rot. Bonds6

About 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide

2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide (PubChem CID 113180281) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide
PubChem CID113180281
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide
SMILESCOc1cc(N(CC(=O)Nc2ccc(C#N)cc2)C(C)=O)c(OC)cc1Cl
InChIInChI=1S/C19H18ClN3O4/c1-12(24)23(16-9-17(26-2)15(20)8-18(16)27-3)11-19(25)22-14-6-4-13(10-21)5-7-14/h4-9H,11H2,1-3H3,(H,22,25)
InChIKeyJZYPKVXTQZJHLP-UHFFFAOYSA-N
XLogP3.22
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)acetamide
CID 113180390
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113180389
methyl 2-[acetyl-[2-(4-cyanoanilino)-2-oxoethyl]amino]benzoate
CID 113176183
N'-(3-chloro-4-methoxyphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955433
3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113135127
2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide
CID 113180210
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
CID 113129676
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180373
2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113180763
N-(4-acetamidophenyl)-2-(N-acetyl-2,4-dimethoxyanilino)acetamide
CID 113174784
methyl 3-[acetyl-[2-(4-cyanoanilino)-2-oxoethyl]amino]benzoate
CID 113176339
3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
CID 113130291

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide (CID 113180281) is 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide is COc1cc(N(CC(=O)Nc2ccc(C#N)cc2)C(C)=O)c(OC)cc1Cl.
What is the InChIKey of 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide?
The InChIKey is JZYPKVXTQZJHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-12(24)23(16-9-17(26-2)15(20)8-18(16)27-3)11-19(25)22-14-6-4-13(10-21)5-7-14/h4-9H,11H2,1-3H3,(H,22,25).
What are the key properties of 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide?
2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide has a molecular weight of 387.82 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 113180281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).