N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C15H12ClNO2 — CID 66394969

IUPACN-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)C1Cc2ccccc21
InChIInChI=1S/C15H12ClNO2/c16-13-6-5-10(8-14(13)18)17-15(19)12-7-9-3-1-2-4-11(9)12/h1-6,8,12,18H,7H2,(H,17,19)
InChIKeyOHYHSDABQFJIJN-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.32
Rot. Bonds2

About N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 66394969) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID66394969
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC NameN-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)C1Cc2ccccc21
InChIInChI=1S/C15H12ClNO2/c16-13-6-5-10(8-14(13)18)17-15(19)12-7-9-3-1-2-4-11(9)12/h1-6,8,12,18H,7H2,(H,17,19)
InChIKeyOHYHSDABQFJIJN-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396911
N-(4-chloro-3-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217245
N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64857039
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)-3-chlorobenzoic acid
CID 66395315
N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide
CID 64788068
N-[4-(1-aminoethyl)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395901
N-(4-chloro-3-hydroxyphenyl)cyclooctanecarboxamide
CID 65023340
N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394332
(4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 52550109
N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396655
(5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 40527090
N-(2-chloropyrimidin-4-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 116798436

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 66394969) is N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is O=C(Nc1ccc(Cl)c(O)c1)C1Cc2ccccc21.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is OHYHSDABQFJIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-13-6-5-10(8-14(13)18)17-15(19)12-7-9-3-1-2-4-11(9)12/h1-6,8,12,18H,7H2,(H,17,19).
What are the key properties of N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 273.72 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 66394969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).