2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide

C11H14F2N2O2 — CID 115152405

IUPAC2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide
SMILESCOc1cc(F)c(CNC(=O)C(C)N)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-6(14)11(16)15-5-7-3-9(13)10(17-2)4-8(7)12/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyOFCOZPPOOSOTGV-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.94
Rot. Bonds4

About 2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide

2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide (PubChem CID 115152405) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide
PubChem CID115152405
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide
SMILESCOc1cc(F)c(CNC(=O)C(C)N)cc1F
InChIInChI=1S/C11H14F2N2O2/c1-6(14)11(16)15-5-7-3-9(13)10(17-2)4-8(7)12/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyOFCOZPPOOSOTGV-UHFFFAOYSA-N
XLogP0.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-2-methylpropanoic acid
CID 115219467
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163429
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190275
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide
CID 115152376
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455
2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847504
2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
CID 115171185

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide (CID 115152405) is 2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide is COc1cc(F)c(CNC(=O)C(C)N)cc1F.
What is the InChIKey of 2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide?
The InChIKey is OFCOZPPOOSOTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-6(14)11(16)15-5-7-3-9(13)10(17-2)4-8(7)12/h3-4,6H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide?
2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide has a molecular weight of 244.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 115152405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).