(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide

C10H12F2N2O2 — CID 61147422

IUPAC(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C10H12F2N2O2/c1-6(13)9(15)14-7-4-2-3-5-8(7)16-10(11)12/h2-6,10H,13H2,1H3,(H,14,15)/t6-/m0/s1
InChIKeyUDGHJYXPCNVGOA-LURJTMIESA-N
MW230.21 g/mol
LogP1.57
Rot. Bonds4

About (2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide

(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide (PubChem CID 61147422) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
PubChem CID61147422
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C10H12F2N2O2/c1-6(13)9(15)14-7-4-2-3-5-8(7)16-10(11)12/h2-6,10H,13H2,1H3,(H,14,15)/t6-/m0/s1
InChIKeyUDGHJYXPCNVGOA-LURJTMIESA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
(2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119341255
2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43329114
4-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 8946649
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride
CID 119312538
2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 116674736
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
2-(cyclopropylmethoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 86846916
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 46622069
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 55518336

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide (CID 61147422) is (2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide is C[C@H](N)C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of (2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide?
The InChIKey is UDGHJYXPCNVGOA-LURJTMIESA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-6(13)9(15)14-7-4-2-3-5-8(7)16-10(11)12/h2-6,10H,13H2,1H3,(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide?
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide has a molecular weight of 230.21 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 61147422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).