N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide

C17H16ClN3O — CID 109008815

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide
SMILESCc1cc(C)c(NC(=O)CNc2cccc(C#N)c2)c(Cl)c1
InChIInChI=1S/C17H16ClN3O/c1-11-6-12(2)17(15(18)7-11)21-16(22)10-20-14-5-3-4-13(8-14)9-19/h3-8,20H,10H2,1-2H3,(H,21,22)
InChIKeyFWGHAGDNRPMCEX-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.88
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide (PubChem CID 109008815) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide
PubChem CID109008815
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide
SMILESCc1cc(C)c(NC(=O)CNc2cccc(C#N)c2)c(Cl)c1
InChIInChI=1S/C17H16ClN3O/c1-11-6-12(2)17(15(18)7-11)21-16(22)10-20-14-5-3-4-13(8-14)9-19/h3-8,20H,10H2,1-2H3,(H,21,22)
InChIKeyFWGHAGDNRPMCEX-UHFFFAOYSA-N
XLogP3.88
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanoanilino)-N-(3,5-dimethylphenyl)acetamide
CID 26438593
N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008818
4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221354
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide
CID 51183160
N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
CID 109008766
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293
2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26438618
2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide
CID 42125202
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
2-(4-chloro-3-nitroanilino)-N-(3-cyanophenyl)acetamide
CID 4849504

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide (CID 109008815) is N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide is Cc1cc(C)c(NC(=O)CNc2cccc(C#N)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide?
The InChIKey is FWGHAGDNRPMCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-11-6-12(2)17(15(18)7-11)21-16(22)10-20-14-5-3-4-13(8-14)9-19/h3-8,20H,10H2,1-2H3,(H,21,22).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide has a molecular weight of 313.79 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide is sourced from PubChem (CID 109008815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).