N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide

C15H15FN2O2 — CID 62514243

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCc2cc(N)ccc2O)c1
InChIInChI=1S/C15H15FN2O2/c1-9-2-4-13(16)12(6-9)15(20)18-8-10-7-11(17)3-5-14(10)19/h2-7,19H,8,17H2,1H3,(H,18,20)
InChIKeyYLAPNZIZXSQKGJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.35
Rot. Bonds3

About N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide

N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide (PubChem CID 62514243) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
PubChem CID62514243
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCc2cc(N)ccc2O)c1
InChIInChI=1S/C15H15FN2O2/c1-9-2-4-13(16)12(6-9)15(20)18-8-10-7-11(17)3-5-14(10)19/h2-7,19H,8,17H2,1H3,(H,18,20)
InChIKeyYLAPNZIZXSQKGJ-UHFFFAOYSA-N
XLogP2.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82827346
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide
CID 43548657
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 43548627
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954363
N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide
CID 62511254
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 43548614
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide (CID 62514243) is N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCc2cc(N)ccc2O)c1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide?
The InChIKey is YLAPNZIZXSQKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-2-4-13(16)12(6-9)15(20)18-8-10-7-11(17)3-5-14(10)19/h2-7,19H,8,17H2,1H3,(H,18,20).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 62514243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).