(2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide

C19H21FN2O3 — CID 9441258

IUPAC(2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-3-17(25-16-7-5-4-6-8-16)19(24)22(2)13-18(23)21-15-11-9-14(20)10-12-15/h4-12,17H,3,13H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyRSGVQHFZYGSITM-KRWDZBQOSA-N
MW344.39 g/mol
LogP3.08
Rot. Bonds7

About (2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide

(2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide (PubChem CID 9441258) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide
PubChem CID9441258
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-3-17(25-16-7-5-4-6-8-16)19(24)22(2)13-18(23)21-15-11-9-14(20)10-12-15/h4-12,17H,3,13H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyRSGVQHFZYGSITM-KRWDZBQOSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7229814
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 42990044
N-(2-hydroxypropyl)-N-methyl-2-phenoxybutanamide
CID 62332724
2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide
CID 60944981
N-(2-anilino-2-oxoethyl)-N-methyl-2-(4-methylphenoxy)propanamide
CID 46808222
(2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide
CID 94016182
(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
CID 7369079
N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
(2S)-2-(4-fluorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 26729871

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide?
The IUPAC name of (2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide (CID 9441258) is (2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide.
What is the SMILES notation for (2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide?
The canonical SMILES for (2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide is CC[C@H](Oc1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide?
The InChIKey is RSGVQHFZYGSITM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-3-17(25-16-7-5-4-6-8-16)19(24)22(2)13-18(23)21-15-11-9-14(20)10-12-15/h4-12,17H,3,13H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide?
(2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide has a molecular weight of 344.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide is sourced from PubChem (CID 9441258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).