(2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide

C20H24FN3O3 — CID 44538367

IUPAC(2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(CNc2cccc(F)c2)cc1
InChIInChI=1S/C20H24FN3O3/c1-14(25)24-19(13-27-2)20(26)23-12-16-8-6-15(7-9-16)11-22-18-5-3-4-17(21)10-18/h3-10,19,22H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKeyPKVAVKORCDFOIX-LJQANCHMSA-N
MW373.43 g/mol
LogP2.21
Rot. Bonds9

About (2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide

(2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide (PubChem CID 44538367) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide
PubChem CID44538367
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name(2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(CNc2cccc(F)c2)cc1
InChIInChI=1S/C20H24FN3O3/c1-14(25)24-19(13-27-2)20(26)23-12-16-8-6-15(7-9-16)11-22-18-5-3-4-17(21)10-18/h3-10,19,22H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKeyPKVAVKORCDFOIX-LJQANCHMSA-N
XLogP2.21
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
CID 23240473
(2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide
CID 44538364
2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide
CID 75044819
2-acetamido-N-[[4-[difluoro-(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide
CID 75044765
(2R)-2-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 45486412
(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 45486407
(2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide
CID 46179903
(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
(2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide
CID 45486472
(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane
CID 160768830
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide (CID 44538367) is (2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide is COC[C@@H](NC(C)=O)C(=O)NCc1ccc(CNc2cccc(F)c2)cc1.
What is the InChIKey of (2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide?
The InChIKey is PKVAVKORCDFOIX-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-14(25)24-19(13-27-2)20(26)23-12-16-8-6-15(7-9-16)11-22-18-5-3-4-17(21)10-18/h3-10,19,22H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t19-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide?
(2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide has a molecular weight of 373.43 g/mol, XLogP of 2.21, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 44538367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).