1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea

C26H24ClFN4O2 — CID 69334300

IUPAC1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC(C(=O)N1CC2CC1CN2c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C26H24ClFN4O2/c27-18-6-10-20(11-7-18)29-26(34)30-24(17-4-2-1-3-5-17)25(33)32-16-22-14-23(32)15-31(22)21-12-8-19(28)9-13-21/h1-13,22-24H,14-16H2,(H2,29,30,34)
InChIKeyNJIHLBDFWIDERD-UHFFFAOYSA-N
MW478.96 g/mol
LogP4.83
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea

1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea (PubChem CID 69334300) has the molecular formula C26H24ClFN4O2 and a molecular weight of 478.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea
PubChem CID69334300
Molecular FormulaC26H24ClFN4O2
Molecular Weight478.96 g/mol
Exact Mass478.16
IUPAC Name1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC(C(=O)N1CC2CC1CN2c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C26H24ClFN4O2/c27-18-6-10-20(11-7-18)29-26(34)30-24(17-4-2-1-3-5-17)25(33)32-16-22-14-23(32)15-31(22)21-12-8-19(28)9-13-21/h1-13,22-24H,14-16H2,(H2,29,30,34)
InChIKeyNJIHLBDFWIDERD-UHFFFAOYSA-N
XLogP4.83
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea
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CID 21088813
(2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopyrrolidin-1-yl)phenyl]-2-phenylacetamide;hydrochloride
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(2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 11754720
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
(2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide
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CID 174499120
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-phenylacetamide
CID 90820759
1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 159427910
[2-[(4-chlorophenyl)carbamoylamino]-1,2-diphenylethyl]carbamic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea (CID 69334300) is 1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea is O=C(Nc1ccc(Cl)cc1)NC(C(=O)N1CC2CC1CN2c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea?
The InChIKey is NJIHLBDFWIDERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O2/c27-18-6-10-20(11-7-18)29-26(34)30-24(17-4-2-1-3-5-17)25(33)32-16-22-14-23(32)15-31(22)21-12-8-19(28)9-13-21/h1-13,22-24H,14-16H2,(H2,29,30,34).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea?
1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea has a molecular weight of 478.96 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-1-phenylethyl]urea is sourced from PubChem (CID 69334300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).