3-bromo-N-[(4-fluorophenyl)methyl]propanamide

C10H11BrFNO — CID 82109688

IUPAC3-bromo-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCBr)NCc1ccc(F)cc1
InChIInChI=1S/C10H11BrFNO/c11-6-5-10(14)13-7-8-1-3-9(12)4-2-8/h1-4H,5-7H2,(H,13,14)
InChIKeyWPALNNIIINPDKT-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.23
Rot. Bonds4

About 3-bromo-N-[(4-fluorophenyl)methyl]propanamide

3-bromo-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 82109688) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 3-bromo-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-bromo-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID82109688
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name3-bromo-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCBr)NCc1ccc(F)cc1
InChIInChI=1S/C10H11BrFNO/c11-6-5-10(14)13-7-8-1-3-9(12)4-2-8/h1-4H,5-7H2,(H,13,14)
InChIKeyWPALNNIIINPDKT-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.23
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

N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-[(4-fluorophenyl)methyl]-5-hydroxypentanamide
CID 79199621
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
3-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide
CID 113385133
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
CID 68558290
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513
N-[(4-fluorophenyl)methyl]-8-oxooctanamide
CID 90932899
N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 9393708
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-bromo-N-[(4-fluorophenyl)methyl]propanamide (CID 82109688) is 3-bromo-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-bromo-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-bromo-N-[(4-fluorophenyl)methyl]propanamide is O=C(CCBr)NCc1ccc(F)cc1.
What is the InChIKey of 3-bromo-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is WPALNNIIINPDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c11-6-5-10(14)13-7-8-1-3-9(12)4-2-8/h1-4H,5-7H2,(H,13,14).
What are the key properties of 3-bromo-N-[(4-fluorophenyl)methyl]propanamide?
3-bromo-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 260.11 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 82109688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).