N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide

C22H16Cl2N2O2 — CID 1348173

IUPACN-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H16Cl2N2O2/c23-17-8-6-15(20(24)14-17)7-13-21(27)25-18-9-11-19(12-10-18)26-22(28)16-4-2-1-3-5-16/h1-14H,(H,25,27)(H,26,28)/b13-7+
InChIKeyUGOOTICDWKJBLY-NTUHNPAUSA-N
MW411.29 g/mol
LogP5.90
Rot. Bonds5

About N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide

N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide (PubChem CID 1348173) has the molecular formula C22H16Cl2N2O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
PubChem CID1348173
Molecular FormulaC22H16Cl2N2O2
Molecular Weight411.29 g/mol
Exact Mass410.06
IUPAC NameN-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H16Cl2N2O2/c23-17-8-6-15(20(24)14-17)7-13-21(27)25-18-9-11-19(12-10-18)26-22(28)16-4-2-1-3-5-16/h1-14H,(H,25,27)(H,26,28)/b13-7+
InChIKeyUGOOTICDWKJBLY-NTUHNPAUSA-N
XLogP5.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 45426606
3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 5139454
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]methyl]phenyl]prop-2-enamide
CID 6184980
3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide
CID 4745023
(E)-3-(2,4-dichlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 21371931
(E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108751443
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide
CID 175134350

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide?
The IUPAC name of N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide (CID 1348173) is N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide?
The canonical SMILES for N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide is O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide?
The InChIKey is UGOOTICDWKJBLY-NTUHNPAUSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2/c23-17-8-6-15(20(24)14-17)7-13-21(27)25-18-9-11-19(12-10-18)26-22(28)16-4-2-1-3-5-16/h1-14H,(H,25,27)(H,26,28)/b13-7+.
What are the key properties of N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide?
N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide has a molecular weight of 411.29 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide is sourced from PubChem (CID 1348173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).