1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea

C13H15ClN2O2 — CID 147474562

IUPAC1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1[C@H]2CC(O)C[C@@H]12
InChIInChI=1S/C13H15ClN2O2/c14-7-1-3-8(4-2-7)15-13(18)16-12-10-5-9(17)6-11(10)12/h1-4,9-12,17H,5-6H2,(H2,15,16,18)/t9?,10-,11+,12?
InChIKeyFCKZGJDDNFDAKF-WSVSKBAQSA-N
MW266.73 g/mol
LogP2.23
Rot. Bonds2

About 1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea

1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea (PubChem CID 147474562) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea
PubChem CID147474562
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1[C@H]2CC(O)C[C@@H]12
InChIInChI=1S/C13H15ClN2O2/c14-7-1-3-8(4-2-7)15-13(18)16-12-10-5-9(17)6-11(10)12/h1-4,9-12,17H,5-6H2,(H2,15,16,18)/t9?,10-,11+,12?
InChIKeyFCKZGJDDNFDAKF-WSVSKBAQSA-N
XLogP2.23
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23581963
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CID 11026212
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
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1-(4-chlorophenyl)-3-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)urea
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1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
CID 3710204
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
1-(4-chlorophenyl)-3-(oxolan-2-yl)urea
CID 110706711
N-(4-chlorophenyl)-3-hydroxycyclopentane-1-carboxamide
CID 141145341
1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
CID 3408901
methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616953

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea (CID 147474562) is 1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea is O=C(Nc1ccc(Cl)cc1)NC1[C@H]2CC(O)C[C@@H]12.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea?
The InChIKey is FCKZGJDDNFDAKF-WSVSKBAQSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-7-1-3-8(4-2-7)15-13(18)16-12-10-5-9(17)6-11(10)12/h1-4,9-12,17H,5-6H2,(H2,15,16,18)/t9?,10-,11+,12?.
What are the key properties of 1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea?
1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea has a molecular weight of 266.73 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea is sourced from PubChem (CID 147474562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).