N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide

C15H15FN2O2 — CID 103804947

IUPACN-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN)c2)c(F)c1
InChIInChI=1S/C15H15FN2O2/c1-20-12-5-6-13(14(16)8-12)15(19)18-11-4-2-3-10(7-11)9-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyNLTCKTSXAJTIHF-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.55
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide

N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide (PubChem CID 103804947) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
PubChem CID103804947
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC NameN-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN)c2)c(F)c1
InChIInChI=1S/C15H15FN2O2/c1-20-12-5-6-13(14(16)8-12)15(19)18-11-4-2-3-10(7-11)9-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyNLTCKTSXAJTIHF-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885170
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzamide
CID 55167424
2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 87026628
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-fluoro-4-methoxybenzamide
CID 55671374
2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide
CID 86981158
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide
CID 63254170
N-[4-(bromomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885234
N-[3-(aminomethyl)phenyl]-4-bromo-2-methoxybenzamide
CID 81469393
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103805146
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881845
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide (CID 103804947) is N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(CN)c2)c(F)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide?
The InChIKey is NLTCKTSXAJTIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-20-12-5-6-13(14(16)8-12)15(19)18-11-4-2-3-10(7-11)9-17/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide?
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 103804947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).