3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide

C19H18ClN3O3 — CID 113135127

IUPAC3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2ccc(C#N)cc2)cc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-13(24)23(16-6-3-14(12-21)4-7-16)10-9-19(25)22-15-5-8-18(26-2)17(20)11-15/h3-8,11H,9-10H2,1-2H3,(H,22,25)
InChIKeyVDJGZRLPUXXFQS-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.60
Rot. Bonds6

About 3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide

3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide (PubChem CID 113135127) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
PubChem CID113135127
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2ccc(C#N)cc2)cc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-13(24)23(16-6-3-14(12-21)4-7-16)10-9-19(25)22-15-5-8-18(26-2)17(20)11-15/h3-8,11H,9-10H2,1-2H3,(H,22,25)
InChIKeyVDJGZRLPUXXFQS-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

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Related Compounds

3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
CID 113130291
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113128420
N'-(3-chloro-4-methoxyphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955433
3-(N-acetyl-4-propan-2-ylanilino)-N-(4-cyanophenyl)propanamide
CID 113125961
3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124627
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
CID 113129676
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
CID 113135117
3-(N-acetyl-2,6-dimethylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113124924
3-(N-acetyl-4-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 113135172
3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113133827
2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide
CID 113180281

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide (CID 113135127) is 3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(C(C)=O)c2ccc(C#N)cc2)cc1Cl.
What is the InChIKey of 3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The InChIKey is VDJGZRLPUXXFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-13(24)23(16-6-3-14(12-21)4-7-16)10-9-19(25)22-15-5-8-18(26-2)17(20)11-15/h3-8,11H,9-10H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-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-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 113135127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).