1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea

C14H18N2O — CID 11892921

IUPAC1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H18N2O/c17-14(15-12-4-2-1-3-5-12)16-13-9-10-6-7-11(13)8-10/h1-5,10-11,13H,6-9H2,(H2,15,16,17)/t10-,11+,13-/m0/s1
InChIKeyLGVCWSXOBDLSSP-LOWVWBTDSA-N
MW230.31 g/mol
LogP3.00
Rot. Bonds2

About 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea

1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea (PubChem CID 11892921) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea
PubChem CID11892921
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H18N2O/c17-14(15-12-4-2-1-3-5-12)16-13-9-10-6-7-11(13)8-10/h1-5,10-11,13H,6-9H2,(H2,15,16,17)/t10-,11+,13-/m0/s1
InChIKeyLGVCWSXOBDLSSP-LOWVWBTDSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylthiourea
CID 11882248
1-[1-(2-bicyclo[2.2.1]heptanylcarbamothioyl)piperidin-4-yl]-3-phenylurea
CID 48843294
1-(4-anilinophenyl)-3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]thiourea
CID 11919127
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone
CID 68543385
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-phenylacetamide
CID 129445975
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide
CID 78995761
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide
CID 18555874
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate
CID 98115390

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea?
The IUPAC name of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea (CID 11892921) is 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea.
What is the SMILES notation for 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea?
The canonical SMILES for 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea is O=C(Nc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea?
The InChIKey is LGVCWSXOBDLSSP-LOWVWBTDSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(15-12-4-2-1-3-5-12)16-13-9-10-6-7-11(13)8-10/h1-5,10-11,13H,6-9H2,(H2,15,16,17)/t10-,11+,13-/m0/s1.
What are the key properties of 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea?
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea has a molecular weight of 230.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea is sourced from PubChem (CID 11892921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).