4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide

C15H12BrClFNO — CID 81306937

IUPAC4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccccc1F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H12BrClFNO/c16-12-6-5-11(9-13(12)17)15(20)19-8-7-10-3-1-2-4-14(10)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyLDXSJTYNBOVHMG-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.21
Rot. Bonds4

About 4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide

4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide (PubChem CID 81306937) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
PubChem CID81306937
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC Name4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccccc1F)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H12BrClFNO/c16-12-6-5-11(9-13(12)17)15(20)19-8-7-10-3-1-2-4-14(10)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyLDXSJTYNBOVHMG-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450
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CID 81295924
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
CID 81472463
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623
N-(4-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81290247
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CID 55731090
N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
CID 103951657
3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055404
4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 8643346
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9100118
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
N-(3-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81295761

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide (CID 81306937) is 4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide is O=C(NCCc1ccccc1F)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide?
The InChIKey is LDXSJTYNBOVHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c16-12-6-5-11(9-13(12)17)15(20)19-8-7-10-3-1-2-4-14(10)18/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide?
4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide has a molecular weight of 356.62 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 81306937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).