N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide

C15H15FN2O2 — CID 62317484

IUPACN-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(F)c(CN)c2)c1O
InChIInChI=1S/C15H15FN2O2/c1-9-3-2-4-12(14(9)19)15(20)18-11-5-6-13(16)10(7-11)8-17/h2-7,19H,8,17H2,1H3,(H,18,20)
InChIKeyQWGZPGFBMHKSCJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.55
Rot. Bonds3

About N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide

N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide (PubChem CID 62317484) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide
PubChem CID62317484
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(F)c(CN)c2)c1O
InChIInChI=1S/C15H15FN2O2/c1-9-3-2-4-12(14(9)19)15(20)18-11-5-6-13(16)10(7-11)8-17/h2-7,19H,8,17H2,1H3,(H,18,20)
InChIKeyQWGZPGFBMHKSCJ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 103867338
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea
CID 62316078
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide
CID 62316950
2-bromo-5-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 115295582
N-[3-(aminomethyl)-4-fluorophenyl]pyridine-2-carboxamide
CID 62317302
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea
CID 79154504
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 113270960
N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide
CID 62537171

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide (CID 62317484) is N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(F)c(CN)c2)c1O.
What is the InChIKey of N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is QWGZPGFBMHKSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-3-2-4-12(14(9)19)15(20)18-11-5-6-13(16)10(7-11)8-17/h2-7,19H,8,17H2,1H3,(H,18,20).
What are the key properties of N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide?
N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 62317484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).