(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride

C11H15ClF2N2O2 — CID 119312538

IUPAC(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride
SMILESCc1cccc(OC(F)F)c1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C11H14F2N2O2.ClH/c1-6-4-3-5-8(17-11(12)13)9(6)15-10(16)7(2)14;/h3-5,7,11H,14H2,1-2H3,(H,15,16);1H/t7-;/m0./s1
InChIKeyODSGVJKVSTWEIT-FJXQXJEOSA-N
MW280.70 g/mol
LogP2.30
Rot. Bonds4

About (2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride

(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride (PubChem CID 119312538) has the molecular formula C11H15ClF2N2O2 and a molecular weight of 280.70 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride
PubChem CID119312538
Molecular FormulaC11H15ClF2N2O2
Molecular Weight280.70 g/mol
Exact Mass280.08
IUPAC Name(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride
SMILESCc1cccc(OC(F)F)c1NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C11H14F2N2O2.ClH/c1-6-4-3-5-8(17-11(12)13)9(6)15-10(16)7(2)14;/h3-5,7,11H,14H2,1-2H3,(H,15,16);1H/t7-;/m0./s1
InChIKeyODSGVJKVSTWEIT-FJXQXJEOSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.70
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide
CID 119764624
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide
CID 119764632
(2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95281098
2-amino-N-(2,6-difluorophenyl)propanamide
CID 43087644
1-[(2-bromophenyl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-methylurea
CID 56586797
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111111724
(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119268629
3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790691

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride (CID 119312538) is (2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride is Cc1cccc(OC(F)F)c1NC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride?
The InChIKey is ODSGVJKVSTWEIT-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H14F2N2O2.ClH/c1-6-4-3-5-8(17-11(12)13)9(6)15-10(16)7(2)14;/h3-5,7,11H,14H2,1-2H3,(H,15,16);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride has a molecular weight of 280.70 g/mol, XLogP of 2.30, 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)-6-methylphenyl]propanamide;hydrochloride is sourced from PubChem (CID 119312538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).