N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide

C18H23FN4O2 — CID 46968551

IUPACN-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1CCCC(=O)Nc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C18H23FN4O2/c1-14-20-6-8-22(14)7-2-3-18(24)21-15-4-5-17(16(19)13-15)23-9-11-25-12-10-23/h4-6,8,13H,2-3,7,9-12H2,1H3,(H,21,24)
InChIKeyFWJWNBOBUXSTIX-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.59
Rot. Bonds6

About N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide

N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide (PubChem CID 46968551) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide
PubChem CID46968551
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1CCCC(=O)Nc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C18H23FN4O2/c1-14-20-6-8-22(14)7-2-3-18(24)21-15-4-5-17(16(19)13-15)23-9-11-25-12-10-23/h4-6,8,13H,2-3,7,9-12H2,1H3,(H,21,24)
InChIKeyFWJWNBOBUXSTIX-UHFFFAOYSA-N
XLogP2.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide?
The IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide (CID 46968551) is N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide.
What is the SMILES notation for N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide?
The canonical SMILES for N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide is Cc1nccn1CCCC(=O)Nc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide?
The InChIKey is FWJWNBOBUXSTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-14-20-6-8-22(14)7-2-3-18(24)21-15-4-5-17(16(19)13-15)23-9-11-25-12-10-23/h4-6,8,13H,2-3,7,9-12H2,1H3,(H,21,24).
What are the key properties of N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide?
N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide has a molecular weight of 346.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methylimidazol-1-yl)butanamide is sourced from PubChem (CID 46968551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).