(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide

C18H21FN2O4 — CID 7928579

IUPAC(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(N[C@@H](C)C(=O)Nc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C18H21FN2O4/c1-11(18(22)21-14-8-6-5-7-13(14)19)20-12-9-15(23-2)17(25-4)16(10-12)24-3/h5-11,20H,1-4H3,(H,21,22)/t11-/m0/s1
InChIKeyAHIQNIVZISJPFM-NSHDSACASA-N
MW348.37 g/mol
LogP3.29
Rot. Bonds7

About (2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide

(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide (PubChem CID 7928579) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is (2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
PubChem CID7928579
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Name(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(N[C@@H](C)C(=O)Nc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C18H21FN2O4/c1-11(18(22)21-14-8-6-5-7-13(14)19)20-12-9-15(23-2)17(25-4)16(10-12)24-3/h5-11,20H,1-4H3,(H,21,22)/t11-/m0/s1
InChIKeyAHIQNIVZISJPFM-NSHDSACASA-N
XLogP3.29
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 47005825
2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide
CID 51167745
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109008378
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
CID 9274019
(2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide
CID 7919078
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide
CID 46667030
(2R)-2-(2,6-dimethoxy-4-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 7695674
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 8605242
N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide
CID 18280724
2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 78670468
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide?
The IUPAC name of (2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide (CID 7928579) is (2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide.
What is the SMILES notation for (2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide?
The canonical SMILES for (2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide is COc1cc(N[C@@H](C)C(=O)Nc2ccccc2F)cc(OC)c1OC.
What is the InChIKey of (2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide?
The InChIKey is AHIQNIVZISJPFM-NSHDSACASA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-11(18(22)21-14-8-6-5-7-13(14)19)20-12-9-15(23-2)17(25-4)16(10-12)24-3/h5-11,20H,1-4H3,(H,21,22)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide?
(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide has a molecular weight of 348.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide is sourced from PubChem (CID 7928579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).