3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide

C15H20Cl2N2O2 — CID 113134203

IUPAC3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide
SMILESCC(=O)N(CCC(=O)NC(C)(C)C)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-10(20)19(9-8-13(21)18-15(2,3)4)14-11(16)6-5-7-12(14)17/h5-7H,8-9H2,1-4H3,(H,18,21)
InChIKeyMXDNZXQPDOKUEU-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.65
Rot. Bonds4

About 3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide

3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide (PubChem CID 113134203) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide
PubChem CID113134203
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide
SMILESCC(=O)N(CCC(=O)NC(C)(C)C)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-10(20)19(9-8-13(21)18-15(2,3)4)14-11(16)6-5-7-12(14)17/h5-7H,8-9H2,1-4H3,(H,18,21)
InChIKeyMXDNZXQPDOKUEU-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide
CID 113134156
3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide
CID 113130989
3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide
CID 113127866
N-tert-butyl-3-(2-chloro-N-methylsulfonylanilino)propanamide
CID 113143702
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356
3-(N-butanoyl-2,6-dichloroanilino)propanoic acid
CID 82320751
3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113125531
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113063810
3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide
CID 113124917
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide
CID 113178588
2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide
CID 113179941
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113135432

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide?
The IUPAC name of 3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide (CID 113134203) is 3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide is CC(=O)N(CCC(=O)NC(C)(C)C)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide?
The InChIKey is MXDNZXQPDOKUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-10(20)19(9-8-13(21)18-15(2,3)4)14-11(16)6-5-7-12(14)17/h5-7H,8-9H2,1-4H3,(H,18,21).
What are the key properties of 3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide?
3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide has a molecular weight of 331.24 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide is sourced from PubChem (CID 113134203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).