4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide

C15H12BrClFNO — CID 114300186

IUPAC4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide
SMILESO=C(NC(CCl)c1ccccc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H12BrClFNO/c16-12-7-6-11(8-13(12)18)15(20)19-14(9-17)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,20)
InChIKeyYSGBGEKGNVBLNG-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.30
Rot. Bonds4

About 4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide

4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide (PubChem CID 114300186) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide
PubChem CID114300186
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC Name4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide
SMILESO=C(NC(CCl)c1ccccc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H12BrClFNO/c16-12-7-6-11(8-13(12)18)15(20)19-14(9-17)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,20)
InChIKeyYSGBGEKGNVBLNG-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide
CID 63524586
N-(2-chloro-1-phenylethyl)-3,4,5-trifluorobenzamide
CID 114300143
3-bromo-N-(2-chloro-1-phenylethyl)-4-methylbenzamide
CID 114300172
4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide
CID 63526336
3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide
CID 114300062
4-bromo-3-fluoro-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 86851550
4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860
N-(2-chloro-1-phenylethyl)-4-propan-2-ylbenzamide
CID 114300182
2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide
CID 114300077
3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 16777891
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456
4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide
CID 63525833

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide (CID 114300186) is 4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide is O=C(NC(CCl)c1ccccc1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide?
The InChIKey is YSGBGEKGNVBLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c16-12-7-6-11(8-13(12)18)15(20)19-14(9-17)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,20).
What are the key properties of 4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide?
4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide has a molecular weight of 356.62 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide is sourced from PubChem (CID 114300186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).