(E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide

C16H19Cl2NO — CID 895594

IUPAC(E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NC1CCCCCC1
InChIInChI=1S/C16H19Cl2NO/c17-13-9-7-12(15(18)11-13)8-10-16(20)19-14-5-3-1-2-4-6-14/h7-11,14H,1-6H2,(H,19,20)/b10-8+
InChIKeyQDOICBWUTQLWSE-CSKARUKUSA-N
MW312.24 g/mol
LogP4.85
Rot. Bonds3

About (E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide

(E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 895594) has the molecular formula C16H19Cl2NO and a molecular weight of 312.24 g/mol. Its IUPAC name is (E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID895594
Molecular FormulaC16H19Cl2NO
Molecular Weight312.24 g/mol
Exact Mass311.08
IUPAC Name(E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NC1CCCCCC1
InChIInChI=1S/C16H19Cl2NO/c17-13-9-7-12(15(18)11-13)8-10-16(20)19-14-5-3-1-2-4-6-14/h7-11,14H,1-6H2,(H,19,20)/b10-8+
InChIKeyQDOICBWUTQLWSE-CSKARUKUSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 6042674
(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-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
(E)-3-(2,4-dichlorophenyl)-N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 9264474
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide
CID 9247195
(E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 100754959
2-cyclopropyl-2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]acetic acid
CID 76954378
(E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide
CID 896747
4-[3-(2,4-dichlorophenyl)prop-2-enoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79192531
(E)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 108764745
N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide
CID 1098758

Frequently Asked Questions

What is the IUPAC name of (E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide (CID 895594) is (E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)NC1CCCCCC1.
What is the InChIKey of (E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is QDOICBWUTQLWSE-CSKARUKUSA-N. The full InChI is InChI=1S/C16H19Cl2NO/c17-13-9-7-12(15(18)11-13)8-10-16(20)19-14-5-3-1-2-4-6-14/h7-11,14H,1-6H2,(H,19,20)/b10-8+.
What are the key properties of (E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide?
(E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 312.24 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 895594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).