4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide

C14H14ClNO2 — CID 54772549

IUPAC4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide
SMILESO=C(NC1C2C=CC(C2)C1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2/c15-11-5-3-8(4-6-11)14(18)16-12-9-1-2-10(7-9)13(12)17/h1-6,9-10,12-13,17H,7H2,(H,16,18)
InChIKeyIAYXDOHAOZCMDS-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.01
Rot. Bonds2

About 4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide

4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide (PubChem CID 54772549) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide
PubChem CID54772549
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide
SMILESO=C(NC1C2C=CC(C2)C1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2/c15-11-5-3-8(4-6-11)14(18)16-12-9-1-2-10(7-9)13(12)17/h1-6,9-10,12-13,17H,7H2,(H,16,18)
InChIKeyIAYXDOHAOZCMDS-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.01
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-(2-aminocyclopropyl)-4-chlorobenzamide
CID 43593825
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
(1R,2S,3R,4R)-3-[[(4-chlorobenzoyl)amino]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124552257
(1R,2R,3S,4R)-3-[[(4-chlorobenzoyl)amino]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 126387871
N-[(3S,5S)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-4-chlorobenzamide;hydrochloride
CID 141172267
4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 97039827
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
4-chloro-N-hydroxybenzamide
CID 587178
4-chloro-N-[2-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]ethyl]benzamide
CID 55546203

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide?
The IUPAC name of 4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide (CID 54772549) is 4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide?
The canonical SMILES for 4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide is O=C(NC1C2C=CC(C2)C1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide?
The InChIKey is IAYXDOHAOZCMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c15-11-5-3-8(4-6-11)14(18)16-12-9-1-2-10(7-9)13(12)17/h1-6,9-10,12-13,17H,7H2,(H,16,18).
What are the key properties of 4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide?
4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide has a molecular weight of 263.72 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)benzamide is sourced from PubChem (CID 54772549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).