3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide

C19H19Cl2NO — CID 4157185

IUPAC3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(C=CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H19Cl2NO/c1-19(2,3)14-7-4-13(5-8-14)6-11-18(23)22-15-9-10-16(20)17(21)12-15/h4-12H,1-3H3,(H,22,23)
InChIKeyMEXBTPGIJAWTMZ-UHFFFAOYSA-N
MW348.27 g/mol
LogP5.94
Rot. Bonds3

About 3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide

3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 4157185) has the molecular formula C19H19Cl2NO and a molecular weight of 348.27 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID4157185
Molecular FormulaC19H19Cl2NO
Molecular Weight348.27 g/mol
Exact Mass347.08
IUPAC Name3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(C=CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H19Cl2NO/c1-19(2,3)14-7-4-13(5-8-14)6-11-18(23)22-15-9-10-16(20)17(21)12-15/h4-12H,1-3H3,(H,22,23)
InChIKeyMEXBTPGIJAWTMZ-UHFFFAOYSA-N
XLogP5.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.27
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide
CID 52666266
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
3-(4-tert-butylphenyl)-N-quinoxalin-6-ylprop-2-enamide
CID 68870920
(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 6273647
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
N-(3-acetamido-4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 103598616
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide (CID 4157185) is 3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide is CC(C)(C)c1ccc(C=CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is MEXBTPGIJAWTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO/c1-19(2,3)14-7-4-13(5-8-14)6-11-18(23)22-15-9-10-16(20)17(21)12-15/h4-12H,1-3H3,(H,22,23).
What are the key properties of 3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 348.27 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 4157185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).