1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea

C15H19FN2O — CID 43835669

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea
SMILESO=C(NCC1CC2CCC1C2)Nc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c16-13-3-5-14(6-4-13)18-15(19)17-9-12-8-10-1-2-11(12)7-10/h3-6,10-12H,1-2,7-9H2,(H2,17,18,19)
InChIKeyCCIQBKARUGKNFT-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.38
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea

1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea (PubChem CID 43835669) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea
PubChem CID43835669
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea
SMILESO=C(NCC1CC2CCC1C2)Nc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c16-13-3-5-14(6-4-13)18-15(19)17-9-12-8-10-1-2-11(12)7-10/h3-6,10-12H,1-2,7-9H2,(H2,17,18,19)
InChIKeyCCIQBKARUGKNFT-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea with MolForge

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Related Compounds

1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[4-[[4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 98153955
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-difluorophenyl)urea
CID 124922617
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(3,4-dichlorophenyl)urea
CID 98157357
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[3-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]-4-methylphenyl]urea
CID 98153440
1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835566
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
CID 112702559
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-dichlorophenyl)urea
CID 40648977
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-dichlorophenyl)urea
CID 40648978
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
CID 63682899
1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
CID 106125333

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea (CID 43835669) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea is O=C(NCC1CC2CCC1C2)Nc1ccc(F)cc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea?
The InChIKey is CCIQBKARUGKNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-13-3-5-14(6-4-13)18-15(19)17-9-12-8-10-1-2-11(12)7-10/h3-6,10-12H,1-2,7-9H2,(H2,17,18,19).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea?
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea has a molecular weight of 262.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 43835669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).