(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide

C24H24Cl2N2O2 — CID 6265521

IUPAC(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NC1CCC(NC(=O)/C=C/c2ccccc2Cl)CC1
InChIInChI=1S/C24H24Cl2N2O2/c25-21-7-3-1-5-17(21)9-15-23(29)27-19-11-13-20(14-12-19)28-24(30)16-10-18-6-2-4-8-22(18)26/h1-10,15-16,19-20H,11-14H2,(H,27,29)(H,28,30)/b15-9+,16-10+
InChIKeySGJGKEKIKCERJD-KAVGSWPWSA-N
MW443.37 g/mol
LogP5.26
Rot. Bonds6

About (E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide (PubChem CID 6265521) has the molecular formula C24H24Cl2N2O2 and a molecular weight of 443.37 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
PubChem CID6265521
Molecular FormulaC24H24Cl2N2O2
Molecular Weight443.37 g/mol
Exact Mass442.12
IUPAC Name(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NC1CCC(NC(=O)/C=C/c2ccccc2Cl)CC1
InChIInChI=1S/C24H24Cl2N2O2/c25-21-7-3-1-5-17(21)9-15-23(29)27-19-11-13-20(14-12-19)28-24(30)16-10-18-6-2-4-8-22(18)26/h1-10,15-16,19-20H,11-14H2,(H,27,29)(H,28,30)/b15-9+,16-10+
InChIKeySGJGKEKIKCERJD-KAVGSWPWSA-N
XLogP5.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.37
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide with MolForge

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Related Compounds

4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 60809194
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
(E)-3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 5334713
(E)-3-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
CID 108757177
(E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 103774226
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
(E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide
CID 43389166
3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide
CID 3685780
(E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919796
3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109926
(E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 895594
(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 6042674

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide (CID 6265521) is (E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)NC1CCC(NC(=O)/C=C/c2ccccc2Cl)CC1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide?
The InChIKey is SGJGKEKIKCERJD-KAVGSWPWSA-N. The full InChI is InChI=1S/C24H24Cl2N2O2/c25-21-7-3-1-5-17(21)9-15-23(29)27-19-11-13-20(14-12-19)28-24(30)16-10-18-6-2-4-8-22(18)26/h1-10,15-16,19-20H,11-14H2,(H,27,29)(H,28,30)/b15-9+,16-10+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide has a molecular weight of 443.37 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide is sourced from PubChem (CID 6265521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).