1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea

C17H23ClN2O — CID 171390716

IUPAC1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)Nc1ccccc1Cl)C2
InChIInChI=1S/C17H23ClN2O/c1-16(2)11-8-9-17(16,3)14(10-11)20-15(21)19-13-7-5-4-6-12(13)18/h4-7,11,14H,8-10H2,1-3H3,(H2,19,20,21)/t11-,14-,17+/m1/s1
InChIKeyBKJZWNWOXMWFCR-ZLENFMNRSA-N
MW306.84 g/mol
LogP4.68
Rot. Bonds2

About 1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea

1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea (PubChem CID 171390716) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
PubChem CID171390716
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)Nc1ccccc1Cl)C2
InChIInChI=1S/C17H23ClN2O/c1-16(2)11-8-9-17(16,3)14(10-11)20-15(21)19-13-7-5-4-6-12(13)18/h4-7,11,14H,8-10H2,1-3H3,(H2,19,20,21)/t11-,14-,17+/m1/s1
InChIKeyBKJZWNWOXMWFCR-ZLENFMNRSA-N
XLogP4.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea (CID 171390716) is 1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)Nc1ccccc1Cl)C2.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea?
The InChIKey is BKJZWNWOXMWFCR-ZLENFMNRSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-16(2)11-8-9-17(16,3)14(10-11)20-15(21)19-13-7-5-4-6-12(13)18/h4-7,11,14H,8-10H2,1-3H3,(H2,19,20,21)/t11-,14-,17+/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea?
1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea has a molecular weight of 306.84 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea is sourced from PubChem (CID 171390716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).