(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride

C10H13ClF2N2O2 — CID 119280792

IUPAC(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1cccc(OC(F)F)c1.Cl
InChIInChI=1S/C10H12F2N2O2.ClH/c1-6(13)9(15)14-7-3-2-4-8(5-7)16-10(11)12;/h2-6,10H,13H2,1H3,(H,14,15);1H/t6-;/m0./s1
InChIKeyILUXQXGKJDSPJO-RGMNGODLSA-N
MW266.68 g/mol
LogP2.00
Rot. Bonds4

About (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride (PubChem CID 119280792) has the molecular formula C10H13ClF2N2O2 and a molecular weight of 266.68 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
PubChem CID119280792
Molecular FormulaC10H13ClF2N2O2
Molecular Weight266.68 g/mol
Exact Mass266.06
IUPAC Name(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1cccc(OC(F)F)c1.Cl
InChIInChI=1S/C10H12F2N2O2.ClH/c1-6(13)9(15)14-7-3-2-4-8(5-7)16-10(11)12;/h2-6,10H,13H2,1H3,(H,14,15);1H/t6-;/m0./s1
InChIKeyILUXQXGKJDSPJO-RGMNGODLSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
CID 119707765
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887533
N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide
CID 62638211
3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
CID 114144924
2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride
CID 119314355
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119280795
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
(2R)-2-amino-N-[3-(2-fluoroethoxy)phenyl]propanamide
CID 119337996
(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119291435

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride (CID 119280792) is (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride is C[C@H](N)C(=O)Nc1cccc(OC(F)F)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride?
The InChIKey is ILUXQXGKJDSPJO-RGMNGODLSA-N. The full InChI is InChI=1S/C10H12F2N2O2.ClH/c1-6(13)9(15)14-7-3-2-4-8(5-7)16-10(11)12;/h2-6,10H,13H2,1H3,(H,14,15);1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride has a molecular weight of 266.68 g/mol, XLogP of 2.00, 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-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119280792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).