4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide

C17H17BrFNO — CID 63525462

IUPAC4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C17H17BrFNO/c1-3-12-4-6-13(7-5-12)11(2)20-17(21)14-8-9-15(18)16(19)10-14/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyLPUPDSZEIKOMEK-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.64
Rot. Bonds4

About 4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide

4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide (PubChem CID 63525462) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide
PubChem CID63525462
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C17H17BrFNO/c1-3-12-4-6-13(7-5-12)11(2)20-17(21)14-8-9-15(18)16(19)10-14/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyLPUPDSZEIKOMEK-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63483320
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387
4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 63525830
N-[(1S)-1-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706676
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
CID 95356330
N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide
CID 45351842
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 96534711
N-[(1R)-1-(4-ethylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 27211907
1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea
CID 86916186

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide (CID 63525462) is 4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide is CCc1ccc(C(C)NC(=O)c2ccc(Br)c(F)c2)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide?
The InChIKey is LPUPDSZEIKOMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-3-12-4-6-13(7-5-12)11(2)20-17(21)14-8-9-15(18)16(19)10-14/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of 4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide?
4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide has a molecular weight of 350.23 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 63525462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).