2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide

C19H13BrFNO2 — CID 55386883

IUPAC2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1Br
InChIInChI=1S/C19H13BrFNO2/c20-16-12-13(21)10-11-15(16)19(23)22-17-8-4-5-9-18(17)24-14-6-2-1-3-7-14/h1-12H,(H,22,23)
InChIKeyRPAADLJLDKKDID-UHFFFAOYSA-N
MW386.22 g/mol
LogP5.63
Rot. Bonds4

About 2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide

2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide (PubChem CID 55386883) has the molecular formula C19H13BrFNO2 and a molecular weight of 386.22 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide
PubChem CID55386883
Molecular FormulaC19H13BrFNO2
Molecular Weight386.22 g/mol
Exact Mass385.01
IUPAC Name2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1Br
InChIInChI=1S/C19H13BrFNO2/c20-16-12-13(21)10-11-15(16)19(23)22-17-8-4-5-9-18(17)24-14-6-2-1-3-7-14/h1-12H,(H,22,23)
InChIKeyRPAADLJLDKKDID-UHFFFAOYSA-N
XLogP5.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.22
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
5-bromo-2-hydroxy-N-(2-phenoxyphenyl)benzamide
CID 20604832
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
1-(2,4-difluorophenyl)-3-(2-phenoxyphenyl)urea
CID 108992692
2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide
CID 100710300
4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate
CID 7232593
6-fluoro-N-(2-phenoxyphenyl)-1H-indole-2-carboxamide
CID 113207503
2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide
CID 55388311
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid
CID 18506111
2-bromo-N-(3-chloro-2-methylphenyl)-4-fluorobenzamide
CID 24699585

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide (CID 55386883) is 2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide is O=C(Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide?
The InChIKey is RPAADLJLDKKDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFNO2/c20-16-12-13(21)10-11-15(16)19(23)22-17-8-4-5-9-18(17)24-14-6-2-1-3-7-14/h1-12H,(H,22,23).
What are the key properties of 2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide?
2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide has a molecular weight of 386.22 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 55386883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).