(4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate

C16H15F2NO2 — CID 57047709

IUPAC(4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate
SMILESC[C@H](Nc1ccc(F)cc1)C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2/c1-11(19-15-8-6-14(18)7-9-15)16(20)21-10-12-2-4-13(17)5-3-12/h2-9,11,19H,10H2,1H3/t11-/m0/s1
InChIKeySEYPFHNMEMKVPS-NSHDSACASA-N
MW291.30 g/mol
LogP3.51
Rot. Bonds5

About (4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate

(4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate (PubChem CID 57047709) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is (4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate
PubChem CID57047709
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate
SMILESC[C@H](Nc1ccc(F)cc1)C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2/c1-11(19-15-8-6-14(18)7-9-15)16(20)21-10-12-2-4-13(17)5-3-12/h2-9,11,19H,10H2,1H3/t11-/m0/s1
InChIKeySEYPFHNMEMKVPS-NSHDSACASA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(4-fluoroanilino)propanoate;hydrochloride
CID 70079411
(4-fluorophenyl)methyl (2R)-2-aminopropanoate
CID 94254370
benzyl 2-(4-methoxyanilino)propanoate
CID 164679734
(4-fluorophenyl)methyl 2-amino-4-methylpentanoate
CID 112510164
(4-fluorophenyl)methyl acetate
CID 14793785
methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate
CID 60991285
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
(4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 3559613
(4-fluorophenyl)methyl N-aminocarbamate
CID 131187793
[4-(methylamino)phenyl]methyl 2-sulfanylpropanoate
CID 139308060
(4-cyanophenyl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 18207158
(4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592381

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate?
The IUPAC name of (4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate (CID 57047709) is (4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate.
What is the SMILES notation for (4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate?
The canonical SMILES for (4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate is C[C@H](Nc1ccc(F)cc1)C(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate?
The InChIKey is SEYPFHNMEMKVPS-NSHDSACASA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-11(19-15-8-6-14(18)7-9-15)16(20)21-10-12-2-4-13(17)5-3-12/h2-9,11,19H,10H2,1H3/t11-/m0/s1.
What are the key properties of (4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate?
(4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate has a molecular weight of 291.30 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate is sourced from PubChem (CID 57047709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).