(2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide

C15H20FN3O2 — CID 8676303

IUPAC(2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESC[C@H](C(=O)NC1CC1)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H20FN3O2/c1-10(15(21)18-12-6-7-12)19(2)9-14(20)17-13-5-3-4-11(16)8-13/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,17,20)(H,18,21)/t10-/m1/s1
InChIKeyRKEGYCBCSIYJMR-SNVBAGLBSA-N
MW293.34 g/mol
LogP1.36
Rot. Bonds6

About (2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide

(2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 8676303) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID8676303
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESC[C@H](C(=O)NC1CC1)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H20FN3O2/c1-10(15(21)18-12-6-7-12)19(2)9-14(20)17-13-5-3-4-11(16)8-13/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,17,20)(H,18,21)/t10-/m1/s1
InChIKeyRKEGYCBCSIYJMR-SNVBAGLBSA-N
XLogP1.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 18196271
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 11934112
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658720
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide
CID 9262561
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
CID 86979720
N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 17457194
(2R)-N-(1-adamantylcarbamoyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9348472
(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 8557442
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)propanamide
CID 9053403
(2R)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 8676463
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
(2R)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8847225

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide (CID 8676303) is (2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide is C[C@H](C(=O)NC1CC1)N(C)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is RKEGYCBCSIYJMR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10(15(21)18-12-6-7-12)19(2)9-14(20)17-13-5-3-4-11(16)8-13/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,17,20)(H,18,21)/t10-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide?
(2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 293.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 8676303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).