(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide

C11H13ClF2N2O2 — CID 119340956

IUPAC(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C11H13ClF2N2O2/c1-6(15)10(17)16-5-7-4-8(12)2-3-9(7)18-11(13)14/h2-4,6,11H,5,15H2,1H3,(H,16,17)/t6-/m1/s1
InChIKeyYALUDOJRNCGJLU-ZCFIWIBFSA-N
MW278.69 g/mol
LogP1.90
Rot. Bonds5

About (2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide

(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide (PubChem CID 119340956) has the molecular formula C11H13ClF2N2O2 and a molecular weight of 278.69 g/mol. Its IUPAC name is (2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
PubChem CID119340956
Molecular FormulaC11H13ClF2N2O2
Molecular Weight278.69 g/mol
Exact Mass278.06
IUPAC Name(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C11H13ClF2N2O2/c1-6(15)10(17)16-5-7-4-8(12)2-3-9(7)18-11(13)14/h2-4,6,11H,5,15H2,1H3,(H,16,17)/t6-/m1/s1
InChIKeyYALUDOJRNCGJLU-ZCFIWIBFSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120991501
3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119813958
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119313626
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide
CID 61464183
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methylbutanamide
CID 120500084
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
CID 115672955
methyl 3-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]-2-methylpropanoate
CID 60965747
methyl 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 43425032
4-[[5-chloro-2-(difluoromethoxy)phenyl]methylcarbamoylamino]butanoic acid
CID 122004669
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111709380

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide (CID 119340956) is (2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide is C[C@@H](N)C(=O)NCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of (2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is YALUDOJRNCGJLU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H13ClF2N2O2/c1-6(15)10(17)16-5-7-4-8(12)2-3-9(7)18-11(13)14/h2-4,6,11H,5,15H2,1H3,(H,16,17)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide?
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 278.69 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 119340956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).