N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide

C16H17FN2O2 — CID 115377989

IUPACN-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide
SMILESCc1ccc(NC(=O)c2cc(F)ccc2O)cc1N(C)C
InChIInChI=1S/C16H17FN2O2/c1-10-4-6-12(9-14(10)19(2)3)18-16(21)13-8-11(17)5-7-15(13)20/h4-9,20H,1-3H3,(H,18,21)
InChIKeyGDDBJKGXGFJPMP-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.16
Rot. Bonds3

About N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide

N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide (PubChem CID 115377989) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide
PubChem CID115377989
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide
SMILESCc1ccc(NC(=O)c2cc(F)ccc2O)cc1N(C)C
InChIInChI=1S/C16H17FN2O2/c1-10-4-6-12(9-14(10)19(2)3)18-16(21)13-8-11(17)5-7-15(13)20/h4-9,20H,1-3H3,(H,18,21)
InChIKeyGDDBJKGXGFJPMP-UHFFFAOYSA-N
XLogP3.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-methylbenzamide
CID 115377986
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
CID 115375820
N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-iodobenzamide
CID 107731795
N-(3-chloro-4-methylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298821
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 115298490
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115375793
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
CID 106834726

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide (CID 115377989) is N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide is Cc1ccc(NC(=O)c2cc(F)ccc2O)cc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is GDDBJKGXGFJPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-4-6-12(9-14(10)19(2)3)18-16(21)13-8-11(17)5-7-15(13)20/h4-9,20H,1-3H3,(H,18,21).
What are the key properties of N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide?
N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 288.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115377989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).