N-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide

C25H19Cl2NO2 — CID 142847270

IUPACN-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C\c1cc(-c2ccccc2Cl)ccc1Cl)C(=O)C1CC1)c1ccccc1
InChIInChI=1S/C25H19Cl2NO2/c26-21-13-12-18(20-8-4-5-9-22(20)27)14-19(21)15-23(24(29)16-10-11-16)28-25(30)17-6-2-1-3-7-17/h1-9,12-16H,10-11H2,(H,28,30)/b23-15-
InChIKeyYSDQZVUBAJCMOS-HAHDFKILSA-N
MW436.34 g/mol
LogP6.41
Rot. Bonds6

About N-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 142847270) has the molecular formula C25H19Cl2NO2 and a molecular weight of 436.34 g/mol. Its IUPAC name is N-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide
PubChem CID142847270
Molecular FormulaC25H19Cl2NO2
Molecular Weight436.34 g/mol
Exact Mass435.08
IUPAC NameN-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C\c1cc(-c2ccccc2Cl)ccc1Cl)C(=O)C1CC1)c1ccccc1
InChIInChI=1S/C25H19Cl2NO2/c26-21-13-12-18(20-8-4-5-9-22(20)27)14-19(21)15-23(24(29)16-10-11-16)28-25(30)17-6-2-1-3-7-17/h1-9,12-16H,10-11H2,(H,28,30)/b23-15-
InChIKeyYSDQZVUBAJCMOS-HAHDFKILSA-N
XLogP6.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.34
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-[(E)-3-(tert-butylamino)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
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N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide (CID 142847270) is N-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide is O=C(N/C(=C\c1cc(-c2ccccc2Cl)ccc1Cl)C(=O)C1CC1)c1ccccc1.
What is the InChIKey of N-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is YSDQZVUBAJCMOS-HAHDFKILSA-N. The full InChI is InChI=1S/C25H19Cl2NO2/c26-21-13-12-18(20-8-4-5-9-22(20)27)14-19(21)15-23(24(29)16-10-11-16)28-25(30)17-6-2-1-3-7-17/h1-9,12-16H,10-11H2,(H,28,30)/b23-15-.
What are the key properties of N-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 436.34 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[2-chloro-5-(2-chlorophenyl)phenyl]-3-cyclopropyl-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 142847270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).