3-(4-chloroanilino)-N,N-dimethylpropanamide

C11H15ClN2O — CID 60960793

IUPAC3-(4-chloroanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-14(2)11(15)7-8-13-10-5-3-9(12)4-6-10/h3-6,13H,7-8H2,1-2H3
InChIKeyIXVUCKIRNPAGIV-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.23
Rot. Bonds4

About 3-(4-chloroanilino)-N,N-dimethylpropanamide

3-(4-chloroanilino)-N,N-dimethylpropanamide (PubChem CID 60960793) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-(4-chloroanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-chloroanilino)-N,N-dimethylpropanamide
PubChem CID60960793
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-(4-chloroanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-14(2)11(15)7-8-13-10-5-3-9(12)4-6-10/h3-6,13H,7-8H2,1-2H3
InChIKeyIXVUCKIRNPAGIV-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylanilino)-N,N-dimethylpropanamide
CID 54879290
3-(4-acetamidoanilino)-N,N-dimethylpropanamide
CID 54879243
3-anilino-N,N-dimethylpropanamide
CID 60961994
4-[[3-(dimethylamino)-3-oxopropyl]amino]benzoic acid
CID 62230699
3-(4-acetylanilino)-N,N-dimethylpropanamide
CID 114468155
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
CID 61469601
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926501
3-(4-chloroanilino)-N-methylpropanamide
CID 10899951
3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide
CID 82819128
3-(4-carbamothioyl-3-chloroanilino)-N,N-dimethylpropanamide
CID 55153574
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
3-(4-carbamothioyl-3-fluoroanilino)-N,N-dimethylpropanamide
CID 115368202

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-chloroanilino)-N,N-dimethylpropanamide (CID 60960793) is 3-(4-chloroanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-chloroanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-chloroanilino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chloroanilino)-N,N-dimethylpropanamide?
The InChIKey is IXVUCKIRNPAGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-14(2)11(15)7-8-13-10-5-3-9(12)4-6-10/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 3-(4-chloroanilino)-N,N-dimethylpropanamide?
3-(4-chloroanilino)-N,N-dimethylpropanamide has a molecular weight of 226.71 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 60960793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).