(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C16H18N2O2 — CID 98514685

IUPAC(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1
InChIInChI=1S/C16H18N2O2/c1-10(19)17-13-4-6-14(7-5-13)18-16(20)15-9-11-2-3-12(15)8-11/h2-7,11-12,15H,8-9H2,1H3,(H,17,19)(H,18,20)/t11-,12-,15-/m0/s1
InChIKeyFTJZJCIIIDUOLT-HUBLWGQQSA-N
MW270.33 g/mol
LogP2.80
Rot. Bonds3

About (1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 98514685) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID98514685
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1
InChIInChI=1S/C16H18N2O2/c1-10(19)17-13-4-6-14(7-5-13)18-16(20)15-9-11-2-3-12(15)8-11/h2-7,11-12,15H,8-9H2,1H3,(H,17,19)(H,18,20)/t11-,12-,15-/m0/s1
InChIKeyFTJZJCIIIDUOLT-HUBLWGQQSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.80
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

N-(4-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906596
(1R,2S,4S)-N-[4-(3-methylbutanoylamino)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98273326
N-(4-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 13416955
(1S,2S,4S)-N-[4-(ethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 99803971
N-(6-bromo-3-pyridinyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103809869
5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid
CID 24704021
N-(1-methylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 146085431
(1R,2R,4S)-N-[4-[(3S)-oxolan-3-yl]oxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 99105095
N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906227
N-[3,5-bis(trifluoromethyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 5092512
(1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98145298
N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42941162

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 98514685) is (1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1.
What is the InChIKey of (1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is FTJZJCIIIDUOLT-HUBLWGQQSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10(19)17-13-4-6-14(7-5-13)18-16(20)15-9-11-2-3-12(15)8-11/h2-7,11-12,15H,8-9H2,1H3,(H,17,19)(H,18,20)/t11-,12-,15-/m0/s1.
What are the key properties of (1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 98514685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).