3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide

C20H22Cl2N2O2 — CID 113134122

IUPAC3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O2/c1-13(2)18-6-4-5-7-19(18)23-20(26)8-9-24(14(3)25)17-11-15(21)10-16(22)12-17/h4-7,10-13H,8-9H2,1-3H3,(H,23,26)
InChIKeyZINVPOVOKVQYJO-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.50
Rot. Bonds6

About 3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide

3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 113134122) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID113134122
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O2/c1-13(2)18-6-4-5-7-19(18)23-20(26)8-9-24(14(3)25)17-11-15(21)10-16(22)12-17/h4-7,10-13H,8-9H2,1-3H3,(H,23,26)
InChIKeyZINVPOVOKVQYJO-UHFFFAOYSA-N
XLogP5.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113128043
3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 113134137
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 113131897
3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide
CID 113134105
3-(N-acetyl-2,4,6-trimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113126059
3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113134123
3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113135416
ethyl 4-[acetyl-[3-oxo-3-(2-propan-2-ylanilino)propyl]amino]benzoate
CID 113133362
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121992
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113130137
3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide
CID 113134052
2-(N-acetyl-2,4-dichloroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113179621

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide (CID 113134122) is 3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C(C)C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is ZINVPOVOKVQYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-13(2)18-6-4-5-7-19(18)23-20(26)8-9-24(14(3)25)17-11-15(21)10-16(22)12-17/h4-7,10-13H,8-9H2,1-3H3,(H,23,26).
What are the key properties of 3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide?
3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 393.31 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113134122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).