5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide

C16H16ClNO3 — CID 70853824

IUPAC5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1cccc(NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C16H16ClNO3/c1-10(2)21-13-5-3-4-12(9-13)18-16(20)14-8-11(17)6-7-15(14)19/h3-10,19H,1-2H3,(H,18,20)
InChIKeyJLECTJMCPCUPAT-UHFFFAOYSA-N
MW305.76 g/mol
LogP4.09
Rot. Bonds4

About 5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide

5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide (PubChem CID 70853824) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide
PubChem CID70853824
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1cccc(NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C16H16ClNO3/c1-10(2)21-13-5-3-4-12(9-13)18-16(20)14-8-11(17)6-7-15(14)19/h3-10,19H,1-2H3,(H,18,20)
InChIKeyJLECTJMCPCUPAT-UHFFFAOYSA-N
XLogP4.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide
CID 43369133
5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43096147
ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate
CID 71508678
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 5-chloro-2-hydroxybenzoate
CID 8604191
5-chloro-N-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzamide
CID 51333059
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide
CID 71462579
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 46180343
N-(4-bromo-3-methylphenyl)-5-chloro-2-hydroxybenzamide
CID 28532000
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide (CID 70853824) is 5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide is CC(C)Oc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.
What is the InChIKey of 5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide?
The InChIKey is JLECTJMCPCUPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10(2)21-13-5-3-4-12(9-13)18-16(20)14-8-11(17)6-7-15(14)19/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of 5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide?
5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide has a molecular weight of 305.76 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 70853824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).