2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide

C13H18F2N2O2 — CID 81083554

IUPAC2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(C)Cc1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O2/c1-8(17-13(18)12(16)7-19-2)6-9-10(14)4-3-5-11(9)15/h3-5,8,12H,6-7,16H2,1-2H3,(H,17,18)
InChIKeyHHJQGTJROTZRED-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.99
Rot. Bonds6

About 2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide

2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide (PubChem CID 81083554) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide
PubChem CID81083554
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(C)Cc1c(F)cccc1F
InChIInChI=1S/C13H18F2N2O2/c1-8(17-13(18)12(16)7-19-2)6-9-10(14)4-3-5-11(9)15/h3-5,8,12H,6-7,16H2,1-2H3,(H,17,18)
InChIKeyHHJQGTJROTZRED-UHFFFAOYSA-N
XLogP0.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012346
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
2-amino-3-methoxy-N-(1-methoxypropan-2-yl)propanamide
CID 81082109
2-amino-N-[1-(2-fluorophenyl)-2-phenylethyl]-3-methoxypropanamide;hydrochloride
CID 120990602
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
CID 61027207
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
CID 60932780
2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
CID 114328026
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide
CID 63008409
N-[1-(2,6-difluorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 47062590
2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 81088183
2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide
CID 120986194
(2R)-2-amino-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide
CID 122441064

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide (CID 81083554) is 2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide is COCC(N)C(=O)NC(C)Cc1c(F)cccc1F.
What is the InChIKey of 2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide?
The InChIKey is HHJQGTJROTZRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-8(17-13(18)12(16)7-19-2)6-9-10(14)4-3-5-11(9)15/h3-5,8,12H,6-7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide?
2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide has a molecular weight of 272.30 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide is sourced from PubChem (CID 81083554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).