5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide

C11H12ClNO2 — CID 114617404

IUPAC5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C11H12ClNO2/c1-7(2)6-13-11(15)9-5-8(12)3-4-10(9)14/h3-5,14H,1,6H2,2H3,(H,13,15)
InChIKeyPHZOEUIGTQFWCG-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.35
Rot. Bonds3

About 5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide

5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide (PubChem CID 114617404) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide
PubChem CID114617404
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C11H12ClNO2/c1-7(2)6-13-11(15)9-5-8(12)3-4-10(9)14/h3-5,14H,1,6H2,2H3,(H,13,15)
InChIKeyPHZOEUIGTQFWCG-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.35
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

2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 107723898
2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid
CID 15858288
5-chloro-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43402430
5-chloro-2-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 49167744
5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613546
N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
CID 114307431
5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide
CID 114614975
N-(2-bromoprop-2-enyl)-4-chloro-2-hydroxybenzamide
CID 115595089
5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
CID 43601629
2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
CID 91723454
5-chloro-2-hydroxy-N-sulfanylbenzamide
CID 130240285
5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114615032

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide (CID 114617404) is 5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide is C=C(C)CNC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is PHZOEUIGTQFWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-7(2)6-13-11(15)9-5-8(12)3-4-10(9)14/h3-5,14H,1,6H2,2H3,(H,13,15).
What are the key properties of 5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide?
5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 225.67 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 114617404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).