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

C10H12F2N2O2 — CID 61146338

IUPAC(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C10H12F2N2O2/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)/t6-/m0/s1
InChIKeySWMTWZFJRFYJCD-LURJTMIESA-N
MW230.21 g/mol
LogP1.57
Rot. Bonds4

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

(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide (PubChem CID 61146338) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
PubChem CID61146338
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C10H12F2N2O2/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)/t6-/m0/s1
InChIKeySWMTWZFJRFYJCD-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

(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
(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
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
CID 119707765
(2R)-2-amino-N-[3-(2-fluoroethoxy)phenyl]propanamide
CID 119337996
(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119291435
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
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide (CID 61146338) is (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide is C[C@H](N)C(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide?
The InChIKey is SWMTWZFJRFYJCD-LURJTMIESA-N. The full InChI is InChI=1S/C10H12F2N2O2/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)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide?
(2S)-2-amino-N-[3-(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-[3-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 61146338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).