2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide

C13H16ClN3O — CID 55181966

IUPAC2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(Cl)ccc1C#N
InChIInChI=1S/C13H16ClN3O/c1-4-17(9-13(18)16(2)3)12-7-11(14)6-5-10(12)8-15/h5-7H,4,9H2,1-3H3
InChIKeyMKMXGFBCJYLAQN-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.13
Rot. Bonds4

About 2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide

2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide (PubChem CID 55181966) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide
PubChem CID55181966
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(Cl)ccc1C#N
InChIInChI=1S/C13H16ClN3O/c1-4-17(9-13(18)16(2)3)12-7-11(14)6-5-10(12)8-15/h5-7H,4,9H2,1-3H3
InChIKeyMKMXGFBCJYLAQN-UHFFFAOYSA-N
XLogP2.13
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-cyano-N-ethylanilino)propanoic acid
CID 55181834
3-(5-chloro-2-cyano-N-ethylanilino)-2-methylpropanoic acid
CID 63083281
2-(2-carbamothioyl-5-chloro-N-ethylanilino)-N,N-dimethylacetamide
CID 55181567
ethyl 2-(5-chloro-2-cyano-N-propylanilino)acetate
CID 63081094
4-chloro-2-[2-ethoxyethyl(ethyl)amino]benzonitrile
CID 55226350
2-(3-bromo-4-cyano-N-ethyl-2-fluoroanilino)-N,N-dimethylacetamide
CID 107533352
2-[5-chloro-2-cyano-N-(2-methylpropyl)anilino]acetic acid
CID 55181163
ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate
CID 63093411
4-chloro-2-(dibutylamino)benzonitrile
CID 63510927
2-(5-chloro-2-cyano-N-ethylanilino)-2-methylpropanoic acid
CID 63083105
2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide
CID 80510309
2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide
CID 114849652

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide (CID 55181966) is 2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1cc(Cl)ccc1C#N.
What is the InChIKey of 2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide?
The InChIKey is MKMXGFBCJYLAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-4-17(9-13(18)16(2)3)12-7-11(14)6-5-10(12)8-15/h5-7H,4,9H2,1-3H3.
What are the key properties of 2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide?
2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide has a molecular weight of 265.74 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 55181966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).