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

C19H22Cl3NO — CID 174341311

IUPAC5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide
SMILESCC(C)C(C)NC(=O)C=CC=CC1(Cl)C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl3NO/c1-12(2)13(3)23-18(24)6-4-5-9-19(22)11-15(19)14-7-8-16(20)17(21)10-14/h4-10,12-13,15H,11H2,1-3H3,(H,23,24)/t13?,15-,19?/m1/s1
InChIKeyTWUCDFRAUOSWAC-SHBDPFAUSA-N
MW386.75 g/mol
LogP5.73
Rot. Bonds6

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

5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide (PubChem CID 174341311) has the molecular formula C19H22Cl3NO and a molecular weight of 386.75 g/mol. Its IUPAC name is 5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide.

Molecular Properties

Compound Name5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide
PubChem CID174341311
Molecular FormulaC19H22Cl3NO
Molecular Weight386.75 g/mol
Exact Mass385.08
IUPAC Name5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide
SMILESCC(C)C(C)NC(=O)C=CC=CC1(Cl)C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl3NO/c1-12(2)13(3)23-18(24)6-4-5-9-19(22)11-15(19)14-7-8-16(20)17(21)10-14/h4-10,12-13,15H,11H2,1-3H3,(H,23,24)/t13?,15-,19?/m1/s1
InChIKeyTWUCDFRAUOSWAC-SHBDPFAUSA-N
XLogP5.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.75
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide?
The IUPAC name of 5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide (CID 174341311) is 5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide.
What is the SMILES notation for 5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide?
The canonical SMILES for 5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide is CC(C)C(C)NC(=O)C=CC=CC1(Cl)C[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide?
The InChIKey is TWUCDFRAUOSWAC-SHBDPFAUSA-N. The full InChI is InChI=1S/C19H22Cl3NO/c1-12(2)13(3)23-18(24)6-4-5-9-19(22)11-15(19)14-7-8-16(20)17(21)10-14/h4-10,12-13,15H,11H2,1-3H3,(H,23,24)/t13?,15-,19?/m1/s1.
What are the key properties of 5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide?
5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide has a molecular weight of 386.75 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-chloro-2-(3,4-dichlorophenyl)cyclopropyl]-N-(3-methylbutan-2-yl)penta-2,4-dienamide is sourced from PubChem (CID 174341311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).