N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide

C15H12ClNO2 — CID 58895575

IUPACN-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide
SMILESC=Cc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H12ClNO2/c1-2-10-3-5-11(6-4-10)15(19)17-13-9-12(16)7-8-14(13)18/h2-9,18H,1H2,(H,17,19)
InChIKeyMOKPNRCMVOBQPT-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.94
Rot. Bonds3

About N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide

N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide (PubChem CID 58895575) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide
PubChem CID58895575
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide
SMILESC=Cc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H12ClNO2/c1-2-10-3-5-11(6-4-10)15(19)17-13-9-12(16)7-8-14(13)18/h2-9,18H,1H2,(H,17,19)
InChIKeyMOKPNRCMVOBQPT-UHFFFAOYSA-N
XLogP3.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(4-ethenylphenyl)methylideneamino]phenol;N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide;N-(5-chloro-2-hydroxyphenyl)-4-prop-1-en-2-ylbenzamide;4-chloro-2-[(4-prop-1-en-2-ylphenyl)methylideneamino]phenol
CID 159732993
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
N-(5-chloro-2-hydroxyphenyl)-4-(cyanomethyl)benzamide
CID 82179465
N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 71508594
N-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide
CID 56581241
N'-(4-aminobenzoyl)-N-(5-chloro-2-hydroxyphenyl)oxamide
CID 108519760
N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide
CID 835945
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665
N-(2-amino-5-chlorophenyl)-4-hydroxybenzamide
CID 18070438
4-chloro-2-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CID 107727969
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 16678665

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide (CID 58895575) is N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide is C=Cc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide?
The InChIKey is MOKPNRCMVOBQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-2-10-3-5-11(6-4-10)15(19)17-13-9-12(16)7-8-14(13)18/h2-9,18H,1H2,(H,17,19).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide?
N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide has a molecular weight of 273.72 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide is sourced from PubChem (CID 58895575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).