(2S)-2-(N-ethyl-4-fluoroanilino)propanamide

C11H15FN2O — CID 143204775

IUPAC(2S)-2-(N-ethyl-4-fluoroanilino)propanamide
SMILESCCN(c1ccc(F)cc1)[C@@H](C)C(N)=O
InChIInChI=1S/C11H15FN2O/c1-3-14(8(2)11(13)15)10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H2,13,15)/t8-/m0/s1
InChIKeyLOBRYXGZDFVCCO-QMMMGPOBSA-N
MW210.25 g/mol
LogP1.53
Rot. Bonds4

About (2S)-2-(N-ethyl-4-fluoroanilino)propanamide

(2S)-2-(N-ethyl-4-fluoroanilino)propanamide (PubChem CID 143204775) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is (2S)-2-(N-ethyl-4-fluoroanilino)propanamide.

Molecular Properties

Compound Name(2S)-2-(N-ethyl-4-fluoroanilino)propanamide
PubChem CID143204775
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name(2S)-2-(N-ethyl-4-fluoroanilino)propanamide
SMILESCCN(c1ccc(F)cc1)[C@@H](C)C(N)=O
InChIInChI=1S/C11H15FN2O/c1-3-14(8(2)11(13)15)10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H2,13,15)/t8-/m0/s1
InChIKeyLOBRYXGZDFVCCO-QMMMGPOBSA-N
XLogP1.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-ethyl-4-fluoroanilino)pentan-3-one
CID 64866058
N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide
CID 78818776
2-(4-amino-N-propylanilino)propanamide
CID 63233906
2-amino-4-(N-ethyl-4-fluoroanilino)butanamide
CID 63054688
(2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride
CID 119271831
4-[1-carboxyethyl(ethyl)amino]benzoic acid
CID 90744202
(2S)-2-(N-ethyl-4-hydroxyanilino)butanediamide
CID 174643242
N-(4-fluorophenyl)-N-propan-2-ylpropanamide
CID 18339665
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
3-(N-(1-amino-1-oxopropan-2-yl)-4-methylanilino)propanoic acid
CID 60838715
2-(N-ethyl-4-formylanilino)propanoic acid
CID 54172194
2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid
CID 62639237

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(N-ethyl-4-fluoroanilino)propanamide?
The IUPAC name of (2S)-2-(N-ethyl-4-fluoroanilino)propanamide (CID 143204775) is (2S)-2-(N-ethyl-4-fluoroanilino)propanamide.
What is the SMILES notation for (2S)-2-(N-ethyl-4-fluoroanilino)propanamide?
The canonical SMILES for (2S)-2-(N-ethyl-4-fluoroanilino)propanamide is CCN(c1ccc(F)cc1)[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-2-(N-ethyl-4-fluoroanilino)propanamide?
The InChIKey is LOBRYXGZDFVCCO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-14(8(2)11(13)15)10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H2,13,15)/t8-/m0/s1.
What are the key properties of (2S)-2-(N-ethyl-4-fluoroanilino)propanamide?
(2S)-2-(N-ethyl-4-fluoroanilino)propanamide has a molecular weight of 210.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(N-ethyl-4-fluoroanilino)propanamide is sourced from PubChem (CID 143204775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).