(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide

C18H20FN3O2 — CID 2658720

IUPAC(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H20FN3O2/c1-13(18(24)21-15-8-4-3-5-9-15)22(2)12-17(23)20-16-10-6-7-14(19)11-16/h3-11,13H,12H2,1-2H3,(H,20,23)(H,21,24)/t13-/m0/s1
InChIKeyXSGGNLVXYPYMDW-ZDUSSCGKSA-N
MW329.38 g/mol
LogP2.72
Rot. Bonds6

About (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide

(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide (PubChem CID 2658720) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
PubChem CID2658720
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H20FN3O2/c1-13(18(24)21-15-8-4-3-5-9-15)22(2)12-17(23)20-16-10-6-7-14(19)11-16/h3-11,13H,12H2,1-2H3,(H,20,23)(H,21,24)/t13-/m0/s1
InChIKeyXSGGNLVXYPYMDW-ZDUSSCGKSA-N
XLogP2.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide
CID 9262561
(2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 8676303
(2R)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 8676463
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 9041710
(2R)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8847225
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658568
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 11934112
(2R)-N-(1-adamantylcarbamoyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9348472
2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide (CID 2658720) is (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide is C[C@@H](C(=O)Nc1ccccc1)N(C)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide?
The InChIKey is XSGGNLVXYPYMDW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-13(18(24)21-15-8-4-3-5-9-15)22(2)12-17(23)20-16-10-6-7-14(19)11-16/h3-11,13H,12H2,1-2H3,(H,20,23)(H,21,24)/t13-/m0/s1.
What are the key properties of (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide?
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide has a molecular weight of 329.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide is sourced from PubChem (CID 2658720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).