2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide

C11H12ClN3O — CID 62492640

IUPAC2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(Cl)cc1C#N
InChIInChI=1S/C11H12ClN3O/c1-15(2)11(16)7-14-10-4-3-9(12)5-8(10)6-13/h3-5,14H,7H2,1-2H3
InChIKeyIGAZLKBHVDDMMP-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.71
Rot. Bonds3

About 2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide

2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide (PubChem CID 62492640) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide
PubChem CID62492640
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(Cl)cc1C#N
InChIInChI=1S/C11H12ClN3O/c1-15(2)11(16)7-14-10-4-3-9(12)5-8(10)6-13/h3-5,14H,7H2,1-2H3
InChIKeyIGAZLKBHVDDMMP-UHFFFAOYSA-N
XLogP1.71
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide
CID 61296173
2-(2-carbamothioyl-4-chloroanilino)-N,N-dimethylacetamide
CID 62493002
2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide
CID 60929299
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide
CID 86791806
3-(4-chloro-2-cyanoanilino)-N,2,2-trimethylpropanamide
CID 103823237
5-chloro-2-(2-hydroxypropylamino)benzonitrile
CID 62493477
4-(4-chloro-2-cyanoanilino)-2-methylbutanoic acid
CID 80539560
5-chloro-2-[2-(methylamino)ethylamino]benzonitrile
CID 62658191
5-chloro-2-[[4-(dimethylamino)phenyl]methylamino]benzonitrile
CID 133302013
2-(4-chloro-2-cyanoanilino)ethyl carbamate
CID 83209624
5-(4-chloro-2-cyanoanilino)pentanamide
CID 106236844

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide (CID 62492640) is 2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide is CN(C)C(=O)CNc1ccc(Cl)cc1C#N.
What is the InChIKey of 2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide?
The InChIKey is IGAZLKBHVDDMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-15(2)11(16)7-14-10-4-3-9(12)5-8(10)6-13/h3-5,14H,7H2,1-2H3.
What are the key properties of 2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide?
2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide has a molecular weight of 237.69 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 62492640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).