2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide

C10H12BrFN2O — CID 119297944

IUPAC2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide
SMILESCC(N)C(=O)NCc1ccc(F)cc1Br
InChIInChI=1S/C10H12BrFN2O/c1-6(13)10(15)14-5-7-2-3-8(12)4-9(7)11/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyVNOBXXCPCZXBJI-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.55
Rot. Bonds3

About 2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide

2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide (PubChem CID 119297944) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide
PubChem CID119297944
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide
SMILESCC(N)C(=O)NCc1ccc(F)cc1Br
InChIInChI=1S/C10H12BrFN2O/c1-6(13)10(15)14-5-7-2-3-8(12)4-9(7)11/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyVNOBXXCPCZXBJI-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
N-[2-[(2-bromo-4-fluorophenyl)methylamino]ethyl]-2-methylpropanamide
CID 103608711
2-[(2-bromo-4-fluorophenyl)methylamino]propanamide
CID 43430625
N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119739043
(2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 103929422
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
CID 61017025
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708234
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
2-amino-1-(2-bromo-4-fluorophenyl)propan-1-one
CID 84705510
2-[[(2-bromo-4-fluorophenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073113
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide
CID 81089667

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide (CID 119297944) is 2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide is CC(N)C(=O)NCc1ccc(F)cc1Br.
What is the InChIKey of 2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide?
The InChIKey is VNOBXXCPCZXBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-6(13)10(15)14-5-7-2-3-8(12)4-9(7)11/h2-4,6H,5,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide?
2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide has a molecular weight of 275.12 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 119297944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).