N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide

C19H25FN4O2 — CID 4876358

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide
SMILESCC(CC(=O)NCC(c1ccc(F)cc1)N1CCOCC1)n1ccnc1
InChIInChI=1S/C19H25FN4O2/c1-15(24-7-6-21-14-24)12-19(25)22-13-18(23-8-10-26-11-9-23)16-2-4-17(20)5-3-16/h2-7,14-15,18H,8-13H2,1H3,(H,22,25)
InChIKeyVGJXJRNHYVLETH-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.16
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide (PubChem CID 4876358) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide
PubChem CID4876358
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide
SMILESCC(CC(=O)NCC(c1ccc(F)cc1)N1CCOCC1)n1ccnc1
InChIInChI=1S/C19H25FN4O2/c1-15(24-7-6-21-14-24)12-19(25)22-13-18(23-8-10-26-11-9-23)16-2-4-17(20)5-3-16/h2-7,14-15,18H,8-13H2,1H3,(H,22,25)
InChIKeyVGJXJRNHYVLETH-UHFFFAOYSA-N
XLogP2.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54587781
N-[3-(1H-imidazol-1-yl)propyl]-N'-(1-phenylethyl)ethanediamide
CID 2861400
2-methylpropyl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate
CID 132550264
1-[(4-Fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one
CID 137348833
1-[3-(1H-imidazol-1-yl)propyl]-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3243721
N-[2-(1H-imidazol-1-yl)ethyl]-N-methyl-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]piperazin-2-yl}acetamide
CID 16187643
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide
CID 24790314
2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 24790328
Sdccgsbi-0117242.P001
CID 24790564
rac-1-(2-((1H-imidazol-1-yl)methyl)morpholino)-2-(4-fluorophenyl)ethanone
CID 46960541
(2S)-N-[1-[1-(benzylamino)-2-methylpropan-2-yl]imidazol-4-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 54580879
(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54585774

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide (CID 4876358) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide is CC(CC(=O)NCC(c1ccc(F)cc1)N1CCOCC1)n1ccnc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide?
The InChIKey is VGJXJRNHYVLETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-15(24-7-6-21-14-24)12-19(25)22-13-18(23-8-10-26-11-9-23)16-2-4-17(20)5-3-16/h2-7,14-15,18H,8-13H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide has a molecular weight of 360.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-imidazol-1-ylbutanamide is sourced from PubChem (CID 4876358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).