4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide

C16H17FN2O2 — CID 43701304

IUPAC4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
SMILESCc1cc(CNc2cc(C(N)=O)ccc2F)cc(C)c1O
InChIInChI=1S/C16H17FN2O2/c1-9-5-11(6-10(2)15(9)20)8-19-14-7-12(16(18)21)3-4-13(14)17/h3-7,19-20H,8H2,1-2H3,(H2,18,21)
InChIKeySQBRKGXEUVRLII-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.86
Rot. Bonds4

About 4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide

4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide (PubChem CID 43701304) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
PubChem CID43701304
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
SMILESCc1cc(CNc2cc(C(N)=O)ccc2F)cc(C)c1O
InChIInChI=1S/C16H17FN2O2/c1-9-5-11(6-10(2)15(9)20)8-19-14-7-12(16(18)21)3-4-13(14)17/h3-7,19-20H,8H2,1-2H3,(H2,18,21)
InChIKeySQBRKGXEUVRLII-UHFFFAOYSA-N
XLogP2.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62760275
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3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide
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4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951237
4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide
CID 79881862
3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide
CID 43701025
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide
CID 81412227
4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide
CID 43783759
4-[(3-fluoro-2-hydroxyphenyl)methylamino]-3-methylbenzamide
CID 115951248
methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate
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4-[(4-chloro-2-methylanilino)methyl]benzamide
CID 43234717

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide?
The IUPAC name of 4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide (CID 43701304) is 4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide.
What is the SMILES notation for 4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide?
The canonical SMILES for 4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide is Cc1cc(CNc2cc(C(N)=O)ccc2F)cc(C)c1O.
What is the InChIKey of 4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide?
The InChIKey is SQBRKGXEUVRLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-9-5-11(6-10(2)15(9)20)8-19-14-7-12(16(18)21)3-4-13(14)17/h3-7,19-20H,8H2,1-2H3,(H2,18,21).
What are the key properties of 4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide?
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide has a molecular weight of 288.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide is sourced from PubChem (CID 43701304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).