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

C16H17FN2O2 — CID 61138112

IUPAC5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1cccc(CNC(=O)c2cc(N)ccc2F)c1
InChIInChI=1S/C16H17FN2O2/c1-21-10-12-4-2-3-11(7-12)9-19-16(20)14-8-13(18)5-6-15(14)17/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyTYMFLNMJZKBVSL-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.48
Rot. Bonds5

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

5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide (PubChem CID 61138112) 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]methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
PubChem CID61138112
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1cccc(CNC(=O)c2cc(N)ccc2F)c1
InChIInChI=1S/C16H17FN2O2/c1-21-10-12-4-2-3-11(7-12)9-19-16(20)14-8-13(18)5-6-15(14)17/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyTYMFLNMJZKBVSL-UHFFFAOYSA-N
XLogP2.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.48
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

N-[[3-(methoxymethyl)phenyl]methyl]-2-(methylamino)benzamide
CID 61376120
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 114371778
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 121289726
2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 87005454
5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748210
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide
CID 80973519
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 61103300
N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46487608

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide (CID 61138112) is 5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide is COCc1cccc(CNC(=O)c2cc(N)ccc2F)c1.
What is the InChIKey of 5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The InChIKey is TYMFLNMJZKBVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-10-12-4-2-3-11(7-12)9-19-16(20)14-8-13(18)5-6-15(14)17/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide has a molecular weight of 288.32 g/mol, XLogP of 2.48, 5 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]methyl]benzamide is sourced from PubChem (CID 61138112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).