3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide

C16H17FN2O2 — CID 107685516

IUPAC3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NCc2ccc(O)c(F)c2)c1
InChIInChI=1S/C16H17FN2O2/c1-19(2)16(21)12-4-3-5-13(9-12)18-10-11-6-7-15(20)14(17)8-11/h3-9,18,20H,10H2,1-2H3
InChIKeyYAVZGZVAXDTIDU-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.85
Rot. Bonds4

About 3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide

3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide (PubChem CID 107685516) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
PubChem CID107685516
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NCc2ccc(O)c(F)c2)c1
InChIInChI=1S/C16H17FN2O2/c1-19(2)16(21)12-4-3-5-13(9-12)18-10-11-6-7-15(20)14(17)8-11/h3-9,18,20H,10H2,1-2H3
InChIKeyYAVZGZVAXDTIDU-UHFFFAOYSA-N
XLogP2.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoate
CID 107685353
3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 43725482
N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756583
N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43725385
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-N'-[3-(dimethylcarbamoyl)phenyl]oxamide
CID 86960546
N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
CID 55039467
N,N-dimethyl-3-(pyridin-2-ylmethylamino)benzamide
CID 43725442
3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
CID 60728339
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide
CID 43230444
3-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37275657
3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 63045684
3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43725444

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide (CID 107685516) is 3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NCc2ccc(O)c(F)c2)c1.
What is the InChIKey of 3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is YAVZGZVAXDTIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-19(2)16(21)12-4-3-5-13(9-12)18-10-11-6-7-15(20)14(17)8-11/h3-9,18,20H,10H2,1-2H3.
What are the key properties of 3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide?
3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 107685516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).