2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide

C11H14BrFN2O2 — CID 81089667

IUPAC2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O2/c1-17-6-10(14)11(16)15-5-7-4-8(13)2-3-9(7)12/h2-4,10H,5-6,14H2,1H3,(H,15,16)
InChIKeyVAJTYOGLIHVWKX-UHFFFAOYSA-N
MW305.15 g/mol
LogP1.18
Rot. Bonds5

About 2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide

2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide (PubChem CID 81089667) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide
PubChem CID81089667
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC Name2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O2/c1-17-6-10(14)11(16)15-5-7-4-8(13)2-3-9(7)12/h2-4,10H,5-6,14H2,1H3,(H,15,16)
InChIKeyVAJTYOGLIHVWKX-UHFFFAOYSA-N
XLogP1.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708234
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 93445031
(2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 103929422
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
CID 61017025
2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120987993
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120985304
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide
CID 83337824
2-[(2-bromo-5-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 61017027
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
CID 120992441
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide (CID 81089667) is 2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide is COCC(N)C(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of 2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide?
The InChIKey is VAJTYOGLIHVWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c1-17-6-10(14)11(16)15-5-7-4-8(13)2-3-9(7)12/h2-4,10H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide?
2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide has a molecular weight of 305.15 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 81089667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).