3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide

C20H22Cl2N2O2 — CID 113134123

IUPAC3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O2/c1-13(2)15-4-6-18(7-5-15)23-20(26)8-9-24(14(3)25)19-11-16(21)10-17(22)12-19/h4-7,10-13H,8-9H2,1-3H3,(H,23,26)
InChIKeyNEBLTYNQLLRFEL-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.50
Rot. Bonds6

About 3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide

3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 113134123) 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-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID113134123
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O2/c1-13(2)15-4-6-18(7-5-15)23-20(26)8-9-24(14(3)25)19-11-16(21)10-17(22)12-19/h4-7,10-13H,8-9H2,1-3H3,(H,23,26)
InChIKeyNEBLTYNQLLRFEL-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-3,5-dichloroanilino)-N-phenylpropanamide
CID 113134105
3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113123440
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113125917
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113125911
3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113125426
3-(N-acetyl-4-propan-2-ylanilino)-N-(4-cyanophenyl)propanamide
CID 113125961
3-(N-acetyl-4-propan-2-ylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113125934
3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113134122
3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide
CID 113134144
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113132001
3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide
CID 113134052
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide (CID 113134123) is 3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is NEBLTYNQLLRFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-13(2)15-4-6-18(7-5-15)23-20(26)8-9-24(14(3)25)19-11-16(21)10-17(22)12-19/h4-7,10-13H,8-9H2,1-3H3,(H,23,26).
What are the key properties of 3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide?
3-(N-acetyl-3,5-dichloroanilino)-N-(4-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-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113134123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).