(1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

C21H16Cl4N2O2 — CID 124776024

IUPAC(1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)[C@H]1[C@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@H]2C=C[C@H]1C2
InChIInChI=1S/C21H16Cl4N2O2/c22-12-3-5-16(14(24)8-12)26-20(28)18-10-1-2-11(7-10)19(18)21(29)27-17-6-4-13(23)9-15(17)25/h1-6,8-11,18-19H,7H2,(H,26,28)(H,27,29)/t10-,11-,18+,19+/m0/s1
InChIKeyWMSOLZOEXGHKDD-GJBDCUKVSA-N
MW470.18 g/mol
LogP6.32
Rot. Bonds4

About (1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

(1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (PubChem CID 124776024) has the molecular formula C21H16Cl4N2O2 and a molecular weight of 470.18 g/mol. Its IUPAC name is (1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.

Molecular Properties

Compound Name(1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
PubChem CID124776024
Molecular FormulaC21H16Cl4N2O2
Molecular Weight470.18 g/mol
Exact Mass468.00
IUPAC Name(1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)[C@H]1[C@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@H]2C=C[C@H]1C2
InChIInChI=1S/C21H16Cl4N2O2/c22-12-3-5-16(14(24)8-12)26-20(28)18-10-1-2-11(7-10)19(18)21(29)27-17-6-4-13(23)9-15(17)25/h1-6,8-11,18-19H,7H2,(H,26,28)(H,27,29)/t10-,11-,18+,19+/m0/s1
InChIKeyWMSOLZOEXGHKDD-GJBDCUKVSA-N
XLogP6.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.18
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3R,4R)-3-[(2,4-dichlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98152603
(1R,2S,3R,4S)-3-[(2,5-dichlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11871732
(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98230227
(1R,2S,3S,4R)-3-[(5-chloro-2-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18390508
(1S,2S,3S,4R)-2-N,3-N-bis(4-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 1100687
(1R,2R,3S,4R)-3-[(2-chlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99782799
(1R,2S,3R,4S)-3-[[3-chloro-4-(cyclohexanecarbonylamino)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11900213
(1S,2S,3S,4R)-3-[[3-chloro-4-(cyclohexanecarbonylamino)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51007758
N-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide
CID 91033193
(1R,2R,3S,6S,7R,9R)-2-bromo-N-(2,4-dichlorophenyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 98336356
(1S,2R,3R,4R)-3-[(2,3,4-trifluorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 50938516
(1R,2S,3S,4R)-3-[(3-chloro-4-fluorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98287439

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The IUPAC name of (1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (CID 124776024) is (1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.
What is the SMILES notation for (1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The canonical SMILES for (1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is O=C(Nc1ccc(Cl)cc1Cl)[C@H]1[C@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The InChIKey is WMSOLZOEXGHKDD-GJBDCUKVSA-N. The full InChI is InChI=1S/C21H16Cl4N2O2/c22-12-3-5-16(14(24)8-12)26-20(28)18-10-1-2-11(7-10)19(18)21(29)27-17-6-4-13(23)9-15(17)25/h1-6,8-11,18-19H,7H2,(H,26,28)(H,27,29)/t10-,11-,18+,19+/m0/s1.
What are the key properties of (1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
(1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide has a molecular weight of 470.18 g/mol, XLogP of 6.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is sourced from PubChem (CID 124776024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).