3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide

C16H17FN2O2 — CID 61116652

IUPAC3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
SMILESCc1c(N)cc(C(=O)N(C)Cc2ccccc2O)cc1F
InChIInChI=1S/C16H17FN2O2/c1-10-13(17)7-12(8-14(10)18)16(21)19(2)9-11-5-3-4-6-15(11)20/h3-8,20H,9,18H2,1-2H3
InChIKeyGRXQIQMIOPUWTR-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.69
Rot. Bonds3

About 3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide

3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide (PubChem CID 61116652) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
PubChem CID61116652
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
SMILESCc1c(N)cc(C(=O)N(C)Cc2ccccc2O)cc1F
InChIInChI=1S/C16H17FN2O2/c1-10-13(17)7-12(8-14(10)18)16(21)19(2)9-11-5-3-4-6-15(11)20/h3-8,20H,9,18H2,1-2H3
InChIKeyGRXQIQMIOPUWTR-UHFFFAOYSA-N
XLogP2.69
TPSA66.56 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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333
3-amino-5-fluoro-N-(2-hydroxyethyl)-N,4-dimethylbenzamide
CID 60862359
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 54906216
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-fluoro-N,4-dimethylbenzamide
CID 61116787
N-[[2-(aminomethyl)phenyl]methyl]-3,5-difluoro-N-methylbenzamide
CID 60922714
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
N-[[2-(aminomethyl)phenyl]methyl]-3,4-difluoro-N-methylbenzamide
CID 60922987
3-amino-5-fluoro-N,4-dimethyl-N-(3-methylsulfanylpropyl)benzamide
CID 114236428
3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 114946695
4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47230441
N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 47290646

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide (CID 61116652) is 3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide is Cc1c(N)cc(C(=O)N(C)Cc2ccccc2O)cc1F.
What is the InChIKey of 3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide?
The InChIKey is GRXQIQMIOPUWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-13(17)7-12(8-14(10)18)16(21)19(2)9-11-5-3-4-6-15(11)20/h3-8,20H,9,18H2,1-2H3.
What are the key properties of 3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide?
3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 61116652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).