1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea

C15H20N2O — CID 4682793

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
SMILESO=C(NCC1CC2CCC1C2)Nc1ccccc1
InChIInChI=1S/C15H20N2O/c18-15(17-14-4-2-1-3-5-14)16-10-13-9-11-6-7-12(13)8-11/h1-5,11-13H,6-10H2,(H2,16,17,18)
InChIKeyBPZBAWYCTRYMFS-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.24
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea

1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea (PubChem CID 4682793) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
PubChem CID4682793
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
SMILESO=C(NCC1CC2CCC1C2)Nc1ccccc1
InChIInChI=1S/C15H20N2O/c18-15(17-14-4-2-1-3-5-14)16-10-13-9-11-6-7-12(13)8-11/h1-5,11-13H,6-10H2,(H2,16,17,18)
InChIKeyBPZBAWYCTRYMFS-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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-(4-fluorophenyl)urea
CID 43835669
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-phenylthiourea
CID 40547896
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylthiourea
CID 18530094
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-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea
CID 11892921
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate
CID 98115390
(2-anilino-2-oxoethyl) 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23739831
(2-anilino-2-oxoethyl) 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174519
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide
CID 63683495
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-phenylacetamide
CID 55232631

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea (CID 4682793) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea is O=C(NCC1CC2CCC1C2)Nc1ccccc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea?
The InChIKey is BPZBAWYCTRYMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(17-14-4-2-1-3-5-14)16-10-13-9-11-6-7-12(13)8-11/h1-5,11-13H,6-10H2,(H2,16,17,18).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea?
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea has a molecular weight of 244.34 g/mol, XLogP of 3.24, 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-phenylurea is sourced from PubChem (CID 4682793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).