(2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide

C19H22Cl2FNO — CID 142625195

IUPAC(2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide
SMILESCC(C)C(C)NC(=O)/C=C/C(F)=C/[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2FNO/c1-11(2)12(3)23-19(24)7-5-15(22)8-14-9-16(14)13-4-6-17(20)18(21)10-13/h4-8,10-12,14,16H,9H2,1-3H3,(H,23,24)/b7-5+,15-8-/t12?,14-,16+/m1/s1
InChIKeyYUVFUKCVQFHWDC-DMDGLXEISA-N
MW370.30 g/mol
LogP5.67
Rot. Bonds6

About (2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide

(2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide (PubChem CID 142625195) has the molecular formula C19H22Cl2FNO and a molecular weight of 370.30 g/mol. Its IUPAC name is (2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide
PubChem CID142625195
Molecular FormulaC19H22Cl2FNO
Molecular Weight370.30 g/mol
Exact Mass369.11
IUPAC Name(2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide
SMILESCC(C)C(C)NC(=O)/C=C/C(F)=C/[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2FNO/c1-11(2)12(3)23-19(24)7-5-15(22)8-14-9-16(14)13-4-6-17(20)18(21)10-13/h4-8,10-12,14,16H,9H2,1-3H3,(H,23,24)/b7-5+,15-8-/t12?,14-,16+/m1/s1
InChIKeyYUVFUKCVQFHWDC-DMDGLXEISA-N
XLogP5.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.30
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(3,4-dichlorophenyl)cyclopropyl]-2-fluoroprop-2-enal
CID 19769973
(E)-4-[2-(3,4-dichlorophenyl)cyclopropyl]-3-fluorobut-3-en-2-one
CID 19769958
(2E,4E)-5-[3-(3,4-dichlorophenyl)-2,2-dimethylcyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide
CID 19769942
5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide
CID 174341311
5-[2-(3,4-dichlorophenyl)-3-fluorocyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide
CID 173364107
5-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide
CID 173364101
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
methyl (2S)-2-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95242853
(1S)-1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]ethanol
CID 95002839
(E)-N-[(1R)-1-cyclopropylethyl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 9478763
(E)-3-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]prop-2-enal
CID 141111886
ethyl 5-[(2R)-2-(3,4-dichlorophenyl)cyclopropyl]penta-2,4-dienoate
CID 173364105

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide?
The IUPAC name of (2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide (CID 142625195) is (2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide?
The canonical SMILES for (2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide is CC(C)C(C)NC(=O)/C=C/C(F)=C/[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide?
The InChIKey is YUVFUKCVQFHWDC-DMDGLXEISA-N. The full InChI is InChI=1S/C19H22Cl2FNO/c1-11(2)12(3)23-19(24)7-5-15(22)8-14-9-16(14)13-4-6-17(20)18(21)10-13/h4-8,10-12,14,16H,9H2,1-3H3,(H,23,24)/b7-5+,15-8-/t12?,14-,16+/m1/s1.
What are the key properties of (2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide?
(2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide has a molecular weight of 370.30 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]-4-fluoro-N-(3-methylbutan-2-yl)penta-2,4-dienamide is sourced from PubChem (CID 142625195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).