N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide

C13H19ClN2O — CID 102485027

IUPACN-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-13(2,3)12(17)16-9-8-15-11-6-4-10(14)5-7-11/h4-7,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyUQPLBMDNASSYNQ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.91
Rot. Bonds4

About N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide

N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide (PubChem CID 102485027) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide
PubChem CID102485027
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-13(2,3)12(17)16-9-8-15-11-6-4-10(14)5-7-11/h4-7,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyUQPLBMDNASSYNQ-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,2-dimethylpropanamide
CID 108542872
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
CID 56922590
2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide
CID 10634314
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
N-[2-[[N-[1-(4-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111319840
3-(4-chloroanilino)-N-methylpropanamide
CID 10899951
4-chloro-N-(3,3-dimethylbutyl)aniline
CID 63422383
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
4-[8-(4-chloroanilino)octylamino]benzoic acid
CID 57083445
3-(4-chloroanilino)-N,N-dimethylpropanamide
CID 60960793
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide (CID 102485027) is N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCNc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide?
The InChIKey is UQPLBMDNASSYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(2,3)12(17)16-9-8-15-11-6-4-10(14)5-7-11/h4-7,15H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide?
N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide has a molecular weight of 254.76 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 102485027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).