5-(4-chlorobut-1-enyl)-2-hydroxybenzamide

C11H12ClNO2 — CID 170499566

IUPAC5-(4-chlorobut-1-enyl)-2-hydroxybenzamide
SMILESNC(=O)c1cc(C=CCCCl)ccc1O
InChIInChI=1S/C11H12ClNO2/c12-6-2-1-3-8-4-5-10(14)9(7-8)11(13)15/h1,3-5,7,14H,2,6H2,(H2,13,15)
InChIKeyQPSPVRZISLKYHF-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.13
Rot. Bonds4

About 5-(4-chlorobut-1-enyl)-2-hydroxybenzamide

5-(4-chlorobut-1-enyl)-2-hydroxybenzamide (PubChem CID 170499566) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is 5-(4-chlorobut-1-enyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-(4-chlorobut-1-enyl)-2-hydroxybenzamide
PubChem CID170499566
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name5-(4-chlorobut-1-enyl)-2-hydroxybenzamide
SMILESNC(=O)c1cc(C=CCCCl)ccc1O
InChIInChI=1S/C11H12ClNO2/c12-6-2-1-3-8-4-5-10(14)9(7-8)11(13)15/h1,3-5,7,14H,2,6H2,(H2,13,15)
InChIKeyQPSPVRZISLKYHF-UHFFFAOYSA-N
XLogP2.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide
CID 170476987
2-hydroxy-5-(3-sulfanylprop-1-enyl)benzamide
CID 169455593
2-hydroxy-5-(4-oxobut-1-enyl)benzamide
CID 170482288
4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde
CID 170498999
4-(4-chlorobut-1-enyl)-2-nitrophenol
CID 170499602
2-tert-butyl-4-(4-chlorobut-1-enyl)phenol
CID 170499691
2-(4-chlorobut-1-enyl)benzene-1,3-diol
CID 170498728
N-[4-(4-chlorobut-1-enyl)phenyl]acetamide
CID 170499596
5-(2-chloroacetyl)-2-hydroxybenzamide
CID 12595689
5-(3,4-dihydroxyphenyl)pent-4-enoic acid
CID 90882623
N-[4-(4-chlorobut-1-enyl)phenyl]-3-oxobutanamide
CID 170500064
3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide
CID 169482230

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobut-1-enyl)-2-hydroxybenzamide?
The IUPAC name of 5-(4-chlorobut-1-enyl)-2-hydroxybenzamide (CID 170499566) is 5-(4-chlorobut-1-enyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-(4-chlorobut-1-enyl)-2-hydroxybenzamide?
The canonical SMILES for 5-(4-chlorobut-1-enyl)-2-hydroxybenzamide is NC(=O)c1cc(C=CCCCl)ccc1O.
What is the InChIKey of 5-(4-chlorobut-1-enyl)-2-hydroxybenzamide?
The InChIKey is QPSPVRZISLKYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-6-2-1-3-8-4-5-10(14)9(7-8)11(13)15/h1,3-5,7,14H,2,6H2,(H2,13,15).
What are the key properties of 5-(4-chlorobut-1-enyl)-2-hydroxybenzamide?
5-(4-chlorobut-1-enyl)-2-hydroxybenzamide has a molecular weight of 225.67 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobut-1-enyl)-2-hydroxybenzamide is sourced from PubChem (CID 170499566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).