2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide

C18H20Cl2N2O2 — CID 1011507

IUPAC2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
SMILESC=C(C)[C@@H]1CC=C(C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C18H20Cl2N2O2/c1-11(2)13-5-4-12(3)16(8-13)21-22-18(23)10-24-17-7-6-14(19)9-15(17)20/h4,6-7,9,13H,1,5,8,10H2,2-3H3,(H,22,23)/t13-/m1/s1
InChIKeySHQWUPWIGBEQDY-CYBMUJFWSA-N
MW367.28 g/mol
LogP4.78
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide

2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide (PubChem CID 1011507) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
PubChem CID1011507
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
SMILESC=C(C)[C@@H]1CC=C(C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C18H20Cl2N2O2/c1-11(2)13-5-4-12(3)16(8-13)21-22-18(23)10-24-17-7-6-14(19)9-15(17)20/h4,6-7,9,13H,1,5,8,10H2,2-3H3,(H,22,23)/t13-/m1/s1
InChIKeySHQWUPWIGBEQDY-CYBMUJFWSA-N
XLogP4.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 3305379
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 6122662
2-(4-bromo-2-methylphenoxy)-N-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 5433075
2-(2-methylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 4041514
2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742959
2-(3-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742967
2-(2-chloroanilino)-N-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 25367751
N-(2-chlorophenyl)-N'-[(E)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]butanediamide
CID 7323557
2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 4208427
N'-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]-N-phenylbutanediamide
CID 3500280
2-(2,4-dichlorophenoxy)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide
CID 7458620
4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 5410881

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide (CID 1011507) is 2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide is C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide?
The InChIKey is SHQWUPWIGBEQDY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-11(2)13-5-4-12(3)16(8-13)21-22-18(23)10-24-17-7-6-14(19)9-15(17)20/h4,6-7,9,13H,1,5,8,10H2,2-3H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide?
2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide has a molecular weight of 367.28 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide is sourced from PubChem (CID 1011507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).