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

C10H12BrFN2O — CID 119307685

IUPAC3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide
SMILESNCCC(=O)NCc1ccc(Br)c(F)c1
InChIInChI=1S/C10H12BrFN2O/c11-8-2-1-7(5-9(8)12)6-14-10(15)3-4-13/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKeySMAKATUJQUKLDV-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.55
Rot. Bonds4

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

3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide (PubChem CID 119307685) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide
PubChem CID119307685
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide
SMILESNCCC(=O)NCc1ccc(Br)c(F)c1
InChIInChI=1S/C10H12BrFN2O/c11-8-2-1-7(5-9(8)12)6-14-10(15)3-4-13/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKeySMAKATUJQUKLDV-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(4-bromo-3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120590647
3-[(4-bromo-3-fluorophenyl)methylamino]-N-ethylpropanamide
CID 113409631
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408539
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
CID 43471392
ethyl 4-[N-[(4-bromo-3-fluorophenyl)methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164556
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334
N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 91448069
4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide (CID 119307685) is 3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide is NCCC(=O)NCc1ccc(Br)c(F)c1.
What is the InChIKey of 3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide?
The InChIKey is SMAKATUJQUKLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c11-8-2-1-7(5-9(8)12)6-14-10(15)3-4-13/h1-2,5H,3-4,6,13H2,(H,14,15).
What are the key properties of 3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide?
3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide has a molecular weight of 275.12 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-bromo-3-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 119307685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).