2-(5-chloro-2-cyanoanilino)-N-ethylacetamide

C11H12ClN3O — CID 63081915

IUPAC2-(5-chloro-2-cyanoanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(Cl)ccc1C#N
InChIInChI=1S/C11H12ClN3O/c1-2-14-11(16)7-15-10-5-9(12)4-3-8(10)6-13/h3-5,15H,2,7H2,1H3,(H,14,16)
InChIKeyRHIYGIGBSIBFGR-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.76
Rot. Bonds4

About 2-(5-chloro-2-cyanoanilino)-N-ethylacetamide

2-(5-chloro-2-cyanoanilino)-N-ethylacetamide (PubChem CID 63081915) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(5-chloro-2-cyanoanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-cyanoanilino)-N-ethylacetamide
PubChem CID63081915
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-(5-chloro-2-cyanoanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(Cl)ccc1C#N
InChIInChI=1S/C11H12ClN3O/c1-2-14-11(16)7-15-10-5-9(12)4-3-8(10)6-13/h3-5,15H,2,7H2,1H3,(H,14,16)
InChIKeyRHIYGIGBSIBFGR-UHFFFAOYSA-N
XLogP1.76
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-cyanoanilino)-N-ethylacetamide
CID 114901468
2-(5-chloro-2-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 64919197
2-(5-chloro-2-cyanoanilino)acetic acid
CID 63081728
2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 64918984
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
4-chloro-2-(2-methylidenebutylamino)benzonitrile
CID 66044755
2-(2-amino-4-chloroanilino)-N-ethylacetamide
CID 43566811
2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide
CID 64919202
N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
CID 64919411
2-(3-bromo-4-cyano-2-fluoroanilino)-N-ethylacetamide
CID 107533252
N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 60537508
4-chloro-2-[3-(ethylamino)propylamino]benzonitrile
CID 63083474

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyanoanilino)-N-ethylacetamide?
The IUPAC name of 2-(5-chloro-2-cyanoanilino)-N-ethylacetamide (CID 63081915) is 2-(5-chloro-2-cyanoanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(5-chloro-2-cyanoanilino)-N-ethylacetamide?
The canonical SMILES for 2-(5-chloro-2-cyanoanilino)-N-ethylacetamide is CCNC(=O)CNc1cc(Cl)ccc1C#N.
What is the InChIKey of 2-(5-chloro-2-cyanoanilino)-N-ethylacetamide?
The InChIKey is RHIYGIGBSIBFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-2-14-11(16)7-15-10-5-9(12)4-3-8(10)6-13/h3-5,15H,2,7H2,1H3,(H,14,16).
What are the key properties of 2-(5-chloro-2-cyanoanilino)-N-ethylacetamide?
2-(5-chloro-2-cyanoanilino)-N-ethylacetamide has a molecular weight of 237.69 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-cyanoanilino)-N-ethylacetamide is sourced from PubChem (CID 63081915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).