2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide

C12H14ClN3O — CID 62494182

IUPAC2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccc(Cl)cc1C#N
InChIInChI=1S/C12H14ClN3O/c1-3-15-12(17)8(2)16-11-5-4-10(13)6-9(11)7-14/h4-6,8,16H,3H2,1-2H3,(H,15,17)
InChIKeyWPRWXTAOHQJWTL-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.15
Rot. Bonds4

About 2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide

2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide (PubChem CID 62494182) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide
PubChem CID62494182
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccc(Cl)cc1C#N
InChIInChI=1S/C12H14ClN3O/c1-3-15-12(17)8(2)16-11-5-4-10(13)6-9(11)7-14/h4-6,8,16H,3H2,1-2H3,(H,15,17)
InChIKeyWPRWXTAOHQJWTL-UHFFFAOYSA-N
XLogP2.15
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanoanilino)-N-ethylpropanamide
CID 43086100
2-(2-cyano-5-methylanilino)-N-ethylpropanamide
CID 62307281
N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide
CID 64920481
2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide
CID 64917926
2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide
CID 107057196
2-(but-3-yn-2-ylamino)-5-chlorobenzonitrile
CID 114417378
2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide
CID 107635388
N-butyl-2-(4-chloro-2-fluoroanilino)propanamide
CID 60721606
N-butan-2-yl-2-(2-cyano-4-fluoroanilino)propanamide
CID 82015893
5-chloro-2-(2-hydroxypropylamino)benzonitrile
CID 62493477
2-(2-cyano-5-methylanilino)-N-propylpropanamide
CID 62307791
4-(4-chloro-2-cyanoanilino)-2-methylbutanoic acid
CID 80539560

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide?
The IUPAC name of 2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide (CID 62494182) is 2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1ccc(Cl)cc1C#N.
What is the InChIKey of 2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide?
The InChIKey is WPRWXTAOHQJWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-3-15-12(17)8(2)16-11-5-4-10(13)6-9(11)7-14/h4-6,8,16H,3H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide?
2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide has a molecular weight of 251.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide is sourced from PubChem (CID 62494182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).