(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide

C10H12F2N2O — CID 78973210

IUPAC(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2N2O/c1-6(13)10(15)14-5-7-2-3-8(11)9(12)4-7/h2-4,6H,5,13H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeyOQKUCQVFSNLCSJ-ZCFIWIBFSA-N
MW214.22 g/mol
LogP0.93
Rot. Bonds3

About (2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide

(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide (PubChem CID 78973210) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
PubChem CID78973210
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2N2O/c1-6(13)10(15)14-5-7-2-3-8(11)9(12)4-7/h2-4,6H,5,13H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeyOQKUCQVFSNLCSJ-ZCFIWIBFSA-N
XLogP0.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride
CID 119280875
2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
CID 115152372
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
N-[(3,4-difluorophenyl)methyl]-3-methylbutanamide
CID 110781014
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide
CID 118878544
2-[(3,4-difluorophenyl)methylcarbamoylamino]propanoic acid
CID 54967577
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]propanamide
CID 106591266
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
(2S,3S)-2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylpentanamide
CID 61155382
(2S)-2-[(3,4-difluorophenyl)methylamino]propanoic acid
CID 83195012
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-methylbutanamide
CID 62538439

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide (CID 78973210) is (2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide is C[C@@H](N)C(=O)NCc1ccc(F)c(F)c1.
What is the InChIKey of (2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide?
The InChIKey is OQKUCQVFSNLCSJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-6(13)10(15)14-5-7-2-3-8(11)9(12)4-7/h2-4,6H,5,13H2,1H3,(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide?
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide has a molecular weight of 214.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide is sourced from PubChem (CID 78973210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).