N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide

C15H13BrFNO — CID 2923839

IUPACN-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO/c1-10(11-6-8-12(16)9-7-11)18-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,18,19)
InChIKeyWLZMYANZEVRVNW-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.08
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide

N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide (PubChem CID 2923839) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide
PubChem CID2923839
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO/c1-10(11-6-8-12(16)9-7-11)18-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,18,19)
InChIKeyWLZMYANZEVRVNW-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide (CID 2923839) is N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide is CC(NC(=O)c1ccccc1F)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide?
The InChIKey is WLZMYANZEVRVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10(11-6-8-12(16)9-7-11)18-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide?
N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide has a molecular weight of 322.18 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 2923839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).