2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide

C19H18ClN3O3 — CID 113180389

IUPAC2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1N(CC(=O)Nc1cccc(C#N)c1)C(C)=O
InChIInChI=1S/C19H18ClN3O3/c1-12-7-17(18(26-3)9-16(12)20)23(13(2)24)11-19(25)22-15-6-4-5-14(8-15)10-21/h4-9H,11H2,1-3H3,(H,22,25)
InChIKeyPFJKXQRFDBKNBD-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.52
Rot. Bonds5

About 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide

2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide (PubChem CID 113180389) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide
PubChem CID113180389
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1N(CC(=O)Nc1cccc(C#N)c1)C(C)=O
InChIInChI=1S/C19H18ClN3O3/c1-12-7-17(18(26-3)9-16(12)20)23(13(2)24)11-19(25)22-15-6-4-5-14(8-15)10-21/h4-9H,11H2,1-3H3,(H,22,25)
InChIKeyPFJKXQRFDBKNBD-UHFFFAOYSA-N
XLogP3.52
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-2,5-dimethoxyanilino)-N-(4-cyanophenyl)acetamide
CID 113180281
2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113172320
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180373
2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide
CID 113168034
3-(N-acetyl-2,5-dimethoxyanilino)-N-(3-cyanophenyl)propanamide
CID 113130052
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide
CID 113180385
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
2-(N-acetyl-3-chloro-2-methylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113171816
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-cyanophenyl)acetamide
CID 113175093
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide
CID 113176810
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113180325

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide (CID 113180389) is 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide is COc1cc(Cl)c(C)cc1N(CC(=O)Nc1cccc(C#N)c1)C(C)=O.
What is the InChIKey of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide?
The InChIKey is PFJKXQRFDBKNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12-7-17(18(26-3)9-16(12)20)23(13(2)24)11-19(25)22-15-6-4-5-14(8-15)10-21/h4-9H,11H2,1-3H3,(H,22,25).
What are the key properties of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide?
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide has a molecular weight of 371.82 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 113180389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).