3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide

C19H18ClN3O3 — CID 113134770

IUPAC3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN(C(C)=O)c1ccccc1C#N
InChIInChI=1S/C19H18ClN3O3/c1-13(24)23(17-6-4-3-5-14(17)12-21)10-9-19(25)22-16-11-15(20)7-8-18(16)26-2/h3-8,11H,9-10H2,1-2H3,(H,22,25)
InChIKeyWESRLIHJXSAWEA-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.60
Rot. Bonds6

About 3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide

3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 113134770) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID113134770
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN(C(C)=O)c1ccccc1C#N
InChIInChI=1S/C19H18ClN3O3/c1-13(24)23(17-6-4-3-5-14(17)12-21)10-9-19(25)22-16-11-15(20)7-8-18(16)26-2/h3-8,11H,9-10H2,1-2H3,(H,22,25)
InChIKeyWESRLIHJXSAWEA-UHFFFAOYSA-N
XLogP3.60
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113127763
3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide
CID 113134040
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide
CID 113129674
3-(N-acetyl-2,6-dimethylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113124925
3-(N-acetyl-2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113133925
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113119813
3-(N-acetyl-2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113134686
methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 113176142
3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113134685
3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 113126806
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113118487

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide (CID 113134770) is 3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)CCN(C(C)=O)c1ccccc1C#N.
What is the InChIKey of 3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is WESRLIHJXSAWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-13(24)23(17-6-4-3-5-14(17)12-21)10-9-19(25)22-16-11-15(20)7-8-18(16)26-2/h3-8,11H,9-10H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide?
3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 371.82 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 113134770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).