3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide

C14H18Cl2N2O2 — CID 63679192

IUPAC3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C(C)(C)CCl
InChIInChI=1S/C14H18Cl2N2O2/c1-14(2,9-15)13(20)18(3)8-12(19)17-11-6-4-10(16)5-7-11/h4-7H,8-9H2,1-3H3,(H,17,19)
InChIKeyYMIPHSIACGGJBC-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.00
Rot. Bonds5

About 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide

3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide (PubChem CID 63679192) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
PubChem CID63679192
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C(C)(C)CCl
InChIInChI=1S/C14H18Cl2N2O2/c1-14(2,9-15)13(20)18(3)8-12(19)17-11-6-4-10(16)5-7-11/h4-7H,8-9H2,1-3H3,(H,17,19)
InChIKeyYMIPHSIACGGJBC-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 62729410
2-(4-chlorophenoxy)-N,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 4820759
trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9417409
2-[(4-chlorophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8742338
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 4781646
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 8816582
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
CID 119928864
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 9438269
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
2-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8503168
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9417469

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide (CID 63679192) is 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide is CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide?
The InChIKey is YMIPHSIACGGJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-14(2,9-15)13(20)18(3)8-12(19)17-11-6-4-10(16)5-7-11/h4-7H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide?
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide has a molecular weight of 317.22 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 63679192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).