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

C15H13BrFNO2 — CID 106544075

IUPAC3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2cccc(Br)c2F)c1
InChIInChI=1S/C15H13BrFNO2/c1-20-11-5-2-4-10(8-11)9-18-15(19)12-6-3-7-13(16)14(12)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyDMCLRXOLLPDEMW-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.53
Rot. Bonds4

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

3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 106544075) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID106544075
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2cccc(Br)c2F)c1
InChIInChI=1S/C15H13BrFNO2/c1-20-11-5-2-4-10(8-11)9-18-15(19)12-6-3-7-13(16)14(12)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyDMCLRXOLLPDEMW-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 62816468
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
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide
CID 86296545
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide (CID 106544075) is 3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2cccc(Br)c2F)c1.
What is the InChIKey of 3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is DMCLRXOLLPDEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-20-11-5-2-4-10(8-11)9-18-15(19)12-6-3-7-13(16)14(12)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide?
3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 338.18 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 106544075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).