5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide

C16H17FN2O2 — CID 103296273

IUPAC5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
SMILESCOCc1cccc(NC(=O)c2cc(N)cc(C)c2F)c1
InChIInChI=1S/C16H17FN2O2/c1-10-6-12(18)8-14(15(10)17)16(20)19-13-5-3-4-11(7-13)9-21-2/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyCJIVNCFMCJIPGL-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.12
Rot. Bonds4

About 5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide

5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide (PubChem CID 103296273) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
PubChem CID103296273
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
SMILESCOCc1cccc(NC(=O)c2cc(N)cc(C)c2F)c1
InChIInChI=1S/C16H17FN2O2/c1-10-6-12(18)8-14(15(10)17)16(20)19-13-5-3-4-11(7-13)9-21-2/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyCJIVNCFMCJIPGL-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071
5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide
CID 103296054
N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide
CID 103296066
4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 63213049
N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-carboxamide
CID 32638658
2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide
CID 107025437
5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 120626212
2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
CID 142115034
2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
CID 1313720
5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide
CID 81317223
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870
2-fluoro-6-hydroxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 104916789

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide (CID 103296273) is 5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide is COCc1cccc(NC(=O)c2cc(N)cc(C)c2F)c1.
What is the InChIKey of 5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide?
The InChIKey is CJIVNCFMCJIPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-6-12(18)8-14(15(10)17)16(20)19-13-5-3-4-11(7-13)9-21-2/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide?
5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide has a molecular weight of 288.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 103296273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).