(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide

C20H24FN3O2 — CID 9049752

IUPAC(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
SMILESCC(C)NC(=O)CN(C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H24FN3O2/c1-14(2)22-18(25)13-24(3)19(15-7-5-4-6-8-15)20(26)23-17-11-9-16(21)10-12-17/h4-12,14,19H,13H2,1-3H3,(H,22,25)(H,23,26)/t19-/m0/s1
InChIKeyAWIGZNVSFBQKOF-IBGZPJMESA-N
MW357.43 g/mol
LogP2.96
Rot. Bonds7

About (2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide

(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide (PubChem CID 9049752) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
PubChem CID9049752
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
SMILESCC(C)NC(=O)CN(C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H24FN3O2/c1-14(2)22-18(25)13-24(3)19(15-7-5-4-6-8-15)20(26)23-17-11-9-16(21)10-12-17/h4-12,14,19H,13H2,1-3H3,(H,22,25)(H,23,26)/t19-/m0/s1
InChIKeyAWIGZNVSFBQKOF-IBGZPJMESA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 8767309
(2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
CID 8912953
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049751
2-[cyclohexyl(methyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 4847563
(2S)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
CID 8594421
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
2-[methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]-N-propan-2-ylacetamide
CID 8913700
(2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
CID 9289300
2-[ethyl(2-hydroxyethyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 110881216
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide
CID 9053195
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide (CID 9049752) is (2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide is CC(C)NC(=O)CN(C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide?
The InChIKey is AWIGZNVSFBQKOF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14(2)22-18(25)13-24(3)19(15-7-5-4-6-8-15)20(26)23-17-11-9-16(21)10-12-17/h4-12,14,19H,13H2,1-3H3,(H,22,25)(H,23,26)/t19-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide?
(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide has a molecular weight of 357.43 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 9049752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).