5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide

C15H14BrFN2O2 — CID 62816468

IUPAC5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2cc(N)c(F)cc2Br)c1
InChIInChI=1S/C15H14BrFN2O2/c1-21-10-4-2-3-9(5-10)8-19-15(20)11-6-14(18)13(17)7-12(11)16/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyBHPUZRYSODOOLQ-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.11
Rot. Bonds4

About 5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide

5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 62816468) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID62816468
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2cc(N)c(F)cc2Br)c1
InChIInChI=1S/C15H14BrFN2O2/c1-21-10-4-2-3-9(5-10)8-19-15(20)11-6-14(18)13(17)7-12(11)16/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyBHPUZRYSODOOLQ-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.11
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

3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 106544075
2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 110779927
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242597
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104507
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide (CID 62816468) is 5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2cc(N)c(F)cc2Br)c1.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is BHPUZRYSODOOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-21-10-4-2-3-9(5-10)8-19-15(20)11-6-14(18)13(17)7-12(11)16/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide?
5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 353.19 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 62816468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).