4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide

C16H11BrClF4NO2 — CID 1247533

IUPAC4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)C(F)F)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrClF4NO2/c17-10-3-1-9(2-4-10)14(24)23-12-7-11(18)5-6-13(12)25-8-16(21,22)15(19)20/h1-7,15H,8H2,(H,23,24)
InChIKeyRULUFLJKINSKMQ-UHFFFAOYSA-N
MW440.62 g/mol
LogP5.63
Rot. Bonds6

About 4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide

4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide (PubChem CID 1247533) has the molecular formula C16H11BrClF4NO2 and a molecular weight of 440.62 g/mol. Its IUPAC name is 4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
PubChem CID1247533
Molecular FormulaC16H11BrClF4NO2
Molecular Weight440.62 g/mol
Exact Mass438.96
IUPAC Name4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)C(F)F)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrClF4NO2/c17-10-3-1-9(2-4-10)14(24)23-12-7-11(18)5-6-13(12)25-8-16(21,22)15(19)20/h1-7,15H,8H2,(H,23,24)
InChIKeyRULUFLJKINSKMQ-UHFFFAOYSA-N
XLogP5.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.62
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide
CID 7302997
4-chloro-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]-3-nitrobenzamide
CID 5063007
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
CID 7220942
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 30473938
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 37175499
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-nitro-4-(2,2,3,3-tetrafluoropropoxy)benzamide
CID 132827479
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 37175902
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide
CID 30473926

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide (CID 1247533) is 4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide is O=C(Nc1cc(Cl)ccc1OCC(F)(F)C(F)F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide?
The InChIKey is RULUFLJKINSKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClF4NO2/c17-10-3-1-9(2-4-10)14(24)23-12-7-11(18)5-6-13(12)25-8-16(21,22)15(19)20/h1-7,15H,8H2,(H,23,24).
What are the key properties of 4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide?
4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide has a molecular weight of 440.62 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide is sourced from PubChem (CID 1247533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).