4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide

C18H19ClFNO2 — CID 67277408

IUPAC4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(-c2cc(Cl)ccc2O)cc1F
InChIInChI=1S/C18H19ClFNO2/c1-4-18(2,3)21-17(23)13-7-5-11(9-15(13)20)14-10-12(19)6-8-16(14)22/h5-10,22H,4H2,1-3H3,(H,21,23)
InChIKeyBAXYFRRALBSZFN-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.77
Rot. Bonds4

About 4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide

4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide (PubChem CID 67277408) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide
PubChem CID67277408
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(-c2cc(Cl)ccc2O)cc1F
InChIInChI=1S/C18H19ClFNO2/c1-4-18(2,3)21-17(23)13-7-5-11(9-15(13)20)14-10-12(19)6-8-16(14)22/h5-10,22H,4H2,1-3H3,(H,21,23)
InChIKeyBAXYFRRALBSZFN-UHFFFAOYSA-N
XLogP4.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[4-chloro-2-[3-fluoro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]phenoxy]propanoic acid
CID 11567692
methyl (2S)-2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylbutanoate
CID 94810009
2-[(5-chloro-2-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 79792917
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687
2-chloro-4-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 60539162
2-fluoro-N-(2-methylbutan-2-yl)-5-sulfanylbenzamide
CID 107019385
5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-hydroxybenzamide
CID 155523213
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride
CID 119521671
4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
CID 115884638
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677101
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride
CID 119523159

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide (CID 67277408) is 4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(-c2cc(Cl)ccc2O)cc1F.
What is the InChIKey of 4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is BAXYFRRALBSZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-4-18(2,3)21-17(23)13-7-5-11(9-15(13)20)14-10-12(19)6-8-16(14)22/h5-10,22H,4H2,1-3H3,(H,21,23).
What are the key properties of 4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide?
4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 335.81 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-hydroxyphenyl)-2-fluoro-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 67277408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).