N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C20H18ClNO2 — CID 154750697

IUPACN-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1Cl)C1CC2C=CC1C2
InChIInChI=1S/C20H18ClNO2/c21-16-5-1-3-7-18(16)24-19-8-4-2-6-17(19)22-20(23)15-12-13-9-10-14(15)11-13/h1-10,13-15H,11-12H2,(H,22,23)
InChIKeyMQWRFXLKYXDFKZ-UHFFFAOYSA-N
MW339.82 g/mol
LogP5.28
Rot. Bonds4

About N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 154750697) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID154750697
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC NameN-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1Cl)C1CC2C=CC1C2
InChIInChI=1S/C20H18ClNO2/c21-16-5-1-3-7-18(16)24-19-8-4-2-6-17(19)22-20(23)15-12-13-9-10-14(15)11-13/h1-10,13-15H,11-12H2,(H,22,23)
InChIKeyMQWRFXLKYXDFKZ-UHFFFAOYSA-N
XLogP5.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.82
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124568561
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid
CID 24701586
N-[2-(2-chlorophenoxy)phenyl]cyclohexanecarboxamide
CID 18279329
N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42909018
N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906227
N-[2-(2-chlorophenoxy)phenyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
CID 55439218
3-[2-(2-chlorophenoxy)phenyl]-1,1-dimethylurea
CID 19858561
N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 113255457
(2S,5R)-5-(aminomethyl)-N-[2-(2-chlorophenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120784929
(1R,2S,4S)-N-[2-(2-cyanoethylsulfanyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98160591
N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42905929
N-[2-(2-chlorophenoxy)phenyl]furan-2-carboxamide
CID 17468939

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 154750697) is N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(Nc1ccccc1Oc1ccccc1Cl)C1CC2C=CC1C2.
What is the InChIKey of N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is MQWRFXLKYXDFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c21-16-5-1-3-7-18(16)24-19-8-4-2-6-17(19)22-20(23)15-12-13-9-10-14(15)11-13/h1-10,13-15H,11-12H2,(H,22,23).
What are the key properties of N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 154750697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).