4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide

C16H21FN4O2 — CID 120594921

IUPAC4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(c1cccc(F)c1)c1nccn1C
InChIInChI=1S/C16H21FN4O2/c1-21-7-6-19-16(21)15(11-4-3-5-12(17)8-11)20-14(22)9-13(10-18)23-2/h3-8,13,15H,9-10,18H2,1-2H3,(H,20,22)
InChIKeyANRXJWOHOJPCPQ-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.13
Rot. Bonds7

About 4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide

4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide (PubChem CID 120594921) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide
PubChem CID120594921
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(c1cccc(F)c1)c1nccn1C
InChIInChI=1S/C16H21FN4O2/c1-21-7-6-19-16(21)15(11-4-3-5-12(17)8-11)20-14(22)9-13(10-18)23-2/h3-8,13,15H,9-10,18H2,1-2H3,(H,20,22)
InChIKeyANRXJWOHOJPCPQ-UHFFFAOYSA-N
XLogP1.13
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide (CID 120594921) is 4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide is COC(CN)CC(=O)NC(c1cccc(F)c1)c1nccn1C.
What is the InChIKey of 4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide?
The InChIKey is ANRXJWOHOJPCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-21-7-6-19-16(21)15(11-4-3-5-12(17)8-11)20-14(22)9-13(10-18)23-2/h3-8,13,15H,9-10,18H2,1-2H3,(H,20,22).
What are the key properties of 4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide?
4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide has a molecular weight of 320.37 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybutanamide is sourced from PubChem (CID 120594921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).