4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide

C25H28FN3O3 — CID 86899076

IUPAC4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C25H28FN3O3/c1-3-15-29(16-4-2)23(30)19-5-11-22(12-6-19)27-24(31)28-25(13-17-32-18-14-25)20-7-9-21(26)10-8-20/h3-12H,1-2,13-18H2,(H2,27,28,31)
InChIKeyCUIZDPWMDHPJPB-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.47
Rot. Bonds8

About 4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide

4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide (PubChem CID 86899076) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide
PubChem CID86899076
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C25H28FN3O3/c1-3-15-29(16-4-2)23(30)19-5-11-22(12-6-19)27-24(31)28-25(13-17-32-18-14-25)20-7-9-21(26)10-8-20/h3-12H,1-2,13-18H2,(H2,27,28,31)
InChIKeyCUIZDPWMDHPJPB-UHFFFAOYSA-N
XLogP4.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea
CID 110469873
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(4-fluorophenyl)urea
CID 113216021
4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
CID 119298023
2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
CID 166403727
3-[[4-[bis(prop-2-enyl)carbamoyl]phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122077702
N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86898610
1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea
CID 110469624
N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456693
cis-(1R,2S)-2-N-[4-(4-fluorophenyl)oxan-4-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
CID 126798249
1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970891
N,N-bis(prop-2-enyl)-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119739199
1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215296

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide (CID 86899076) is 4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is CUIZDPWMDHPJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-3-15-29(16-4-2)23(30)19-5-11-22(12-6-19)27-24(31)28-25(13-17-32-18-14-25)20-7-9-21(26)10-8-20/h3-12H,1-2,13-18H2,(H2,27,28,31).
What are the key properties of 4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide?
4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 437.52 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)oxan-4-yl]carbamoylamino]-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 86899076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).