N-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide

C11H13BrFNO — CID 58247950

IUPACN-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide
SMILESCCC(=O)NC(C)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO/c1-3-11(15)14-7(2)9-5-4-8(12)6-10(9)13/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyAEYAUETZVVPFNT-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.18
Rot. Bonds3

About N-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide

N-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide (PubChem CID 58247950) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is N-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide
PubChem CID58247950
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC NameN-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide
SMILESCCC(=O)NC(C)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO/c1-3-11(15)14-7(2)9-5-4-8(12)6-10(9)13/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyAEYAUETZVVPFNT-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino}-N-(cyanomethyl)-4-methylpentanamide
CID 10237771
N-(1-(2-bromophenyl)ethyl)-2-chloroacetamide
CID 3678007
N2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-(cyanomethyl)-L-leucinamide
CID 10287617
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide
CID 23550321
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 23550323
N-[(1R)-1-(4-bromophenyl)ethyl]-1,3,3-trichlorocyclobutane-1-carboxamide
CID 54457761
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
N-(1-phenylethyl)acetamide
CID 222023
N-(2-bromobenzyl)acetamide
CID 2824953
(R)-N-acetyl-1-phenylethylamine
CID 735802
N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-dichloro-3-methylcyclobutane-1-carboxamide
CID 76322794
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1-ethyl-3-methylcyclobutane-1-carboxamide
CID 76322795

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide?
The IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide (CID 58247950) is N-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for N-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for N-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide is CCC(=O)NC(C)c1ccc(Br)cc1F.
What is the InChIKey of N-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide?
The InChIKey is AEYAUETZVVPFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-3-11(15)14-7(2)9-5-4-8(12)6-10(9)13/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide?
N-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide has a molecular weight of 274.13 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 58247950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).