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

C19H22FN3O2 — CID 9262561

IUPAC(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C19H22FN3O2/c1-13-6-4-8-16(10-13)22-19(25)14(2)23(3)12-18(24)21-17-9-5-7-15(20)11-17/h4-11,14H,12H2,1-3H3,(H,21,24)(H,22,25)/t14-/m0/s1
InChIKeyHJXURTKNCBXLSE-AWEZNQCLSA-N
MW343.40 g/mol
LogP3.03
Rot. Bonds6

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

(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide (PubChem CID 9262561) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide
PubChem CID9262561
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C19H22FN3O2/c1-13-6-4-8-16(10-13)22-19(25)14(2)23(3)12-18(24)21-17-9-5-7-15(20)11-17/h4-11,14H,12H2,1-3H3,(H,21,24)(H,22,25)/t14-/m0/s1
InChIKeyHJXURTKNCBXLSE-AWEZNQCLSA-N
XLogP3.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658720
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
(2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 8676303
N-(4-cyanophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 144587041
(2R)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8847225
(2R)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 8676463
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 9041710
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
(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
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide?
The IUPAC name of (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide (CID 9262561) is (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide?
The InChIKey is HJXURTKNCBXLSE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13-6-4-8-16(10-13)22-19(25)14(2)23(3)12-18(24)21-17-9-5-7-15(20)11-17/h4-11,14H,12H2,1-3H3,(H,21,24)(H,22,25)/t14-/m0/s1.
What are the key properties of (2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide?
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide has a molecular weight of 343.40 g/mol, XLogP of 3.03, 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-(3-methylphenyl)propanamide is sourced from PubChem (CID 9262561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).