3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide

C19H19Cl2NO — CID 2931488

IUPAC3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
SMILESCC(CCc1ccccc1)NC(=O)C=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO/c1-14(7-8-15-5-3-2-4-6-15)22-19(23)12-10-16-9-11-17(20)13-18(16)21/h2-6,9-14H,7-8H2,1H3,(H,22,23)
InChIKeyOAPBEAXCURUBCJ-UHFFFAOYSA-N
MW348.27 g/mol
LogP5.14
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide

3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide (PubChem CID 2931488) has the molecular formula C19H19Cl2NO and a molecular weight of 348.27 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
PubChem CID2931488
Molecular FormulaC19H19Cl2NO
Molecular Weight348.27 g/mol
Exact Mass347.08
IUPAC Name3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
SMILESCC(CCc1ccccc1)NC(=O)C=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2NO/c1-14(7-8-15-5-3-2-4-6-15)22-19(23)12-10-16-9-11-17(20)13-18(16)21/h2-6,9-14H,7-8H2,1H3,(H,22,23)
InChIKeyOAPBEAXCURUBCJ-UHFFFAOYSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.27
LogP ≤ 55.14
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

(E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 6241128
3-(2-chloro-6-fluorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 2932986
(E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide
CID 99996229
(E)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 889264
(Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 2186661
(2S)-2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4-hydroxybutanoic acid
CID 107822045
(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 1001333
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7506041
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7506039
3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 5139454
(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163694
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide (CID 2931488) is 3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide is CC(CCc1ccccc1)NC(=O)C=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide?
The InChIKey is OAPBEAXCURUBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO/c1-14(7-8-15-5-3-2-4-6-15)22-19(23)12-10-16-9-11-17(20)13-18(16)21/h2-6,9-14H,7-8H2,1H3,(H,22,23).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide?
3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide has a molecular weight of 348.27 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 2931488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).