(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide

C12H17FN2O — CID 78973383

IUPAC(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
SMILESCCN(Cc1cccc(F)c1)C(=O)[C@@H](C)N
InChIInChI=1S/C12H17FN2O/c1-3-15(12(16)9(2)14)8-10-5-4-6-11(13)7-10/h4-7,9H,3,8,14H2,1-2H3/t9-/m1/s1
InChIKeySJFIODQDWOYOLH-SECBINFHSA-N
MW224.28 g/mol
LogP1.52
Rot. Bonds4

About (2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide

(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide (PubChem CID 78973383) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
PubChem CID78973383
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
SMILESCCN(Cc1cccc(F)c1)C(=O)[C@@H](C)N
InChIInChI=1S/C12H17FN2O/c1-3-15(12(16)9(2)14)8-10-5-4-6-11(13)7-10/h4-7,9H,3,8,14H2,1-2H3/t9-/m1/s1
InChIKeySJFIODQDWOYOLH-SECBINFHSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide
CID 61173559
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566
3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide
CID 106111947
N-ethyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119690197
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide
CID 99703454
N,N-diethyl-2-[2-(3-fluorophenyl)ethylamino]propanamide
CID 43420356
2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 55036056
(E)-4-[ethyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54874794
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide (CID 78973383) is (2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide is CCN(Cc1cccc(F)c1)C(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide?
The InChIKey is SJFIODQDWOYOLH-SECBINFHSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-15(12(16)9(2)14)8-10-5-4-6-11(13)7-10/h4-7,9H,3,8,14H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide?
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide has a molecular weight of 224.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 78973383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).