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

C19H16Cl2N2O2 — CID 9247195

IUPACN-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H16Cl2N2O2/c20-14-6-4-12(17(21)11-14)5-9-18(24)22-16-3-1-2-13(10-16)19(25)23-15-7-8-15/h1-6,9-11,15H,7-8H2,(H,22,24)(H,23,25)/b9-5+
InChIKeyQQXFGLLFNVPTFS-WEVVVXLNSA-N
MW375.26 g/mol
LogP4.54
Rot. Bonds5

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

N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide (PubChem CID 9247195) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide
PubChem CID9247195
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC NameN-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H16Cl2N2O2/c20-14-6-4-12(17(21)11-14)5-9-18(24)22-16-3-1-2-13(10-16)19(25)23-15-7-8-15/h1-6,9-11,15H,7-8H2,(H,22,24)(H,23,25)/b9-5+
InChIKeyQQXFGLLFNVPTFS-WEVVVXLNSA-N
XLogP4.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.54
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

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-(3-fluorophenyl)prop-2-enamide
CID 872620
N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 1348173
(E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 895594
(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 6042674
3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 868727
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
3-[[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
CID 24506433
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide
CID 6082811
3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 5185153
3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide
CID 4745023
(E)-4-[3-(cyclohexylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17170491

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide (CID 9247195) is N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide is O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is QQXFGLLFNVPTFS-WEVVVXLNSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c20-14-6-4-12(17(21)11-14)5-9-18(24)22-16-3-1-2-13(10-16)19(25)23-15-7-8-15/h1-6,9-11,15H,7-8H2,(H,22,24)(H,23,25)/b9-5+.
What are the key properties of N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide?
N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 375.26 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 9247195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).