N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide

C10H11BrFNO2 — CID 124707474

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCc1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO2/c11-8-2-1-7(9(12)5-8)6-13-10(15)3-4-14/h1-2,5,14H,3-4,6H2,(H,13,15)
InChIKeyOOFFDBBWKCLNOZ-UHFFFAOYSA-N
MW276.10 g/mol
LogP1.59
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide

N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide (PubChem CID 124707474) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.10 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide
PubChem CID124707474
Molecular FormulaC10H11BrFNO2
Molecular Weight276.10 g/mol
Exact Mass275.00
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCc1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO2/c11-8-2-1-7(9(12)5-8)6-13-10(15)3-4-14/h1-2,5,14H,3-4,6H2,(H,13,15)
InChIKeyOOFFDBBWKCLNOZ-UHFFFAOYSA-N
XLogP1.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
N-[(4-bromophenyl)methyl]-3-hydroxypropanamide
CID 115138976
4-[[3-(4-bromo-2-fluorophenyl)propanoylamino]methyl]benzamide
CID 51127668
N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 95620382
N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide
CID 46485276
3-(4-bromo-2-fluorophenyl)-N-prop-2-ynylpropanamide
CID 47468902
N-[(5-bromo-2-fluorophenyl)methyl]nonanamide
CID 65427676
3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride
CID 119327413
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
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CID 143672674

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide (CID 124707474) is N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide is O=C(CCO)NCc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide?
The InChIKey is OOFFDBBWKCLNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c11-8-2-1-7(9(12)5-8)6-13-10(15)3-4-14/h1-2,5,14H,3-4,6H2,(H,13,15).
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide?
N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide has a molecular weight of 276.10 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide is sourced from PubChem (CID 124707474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).