1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea

C14H18ClN3O2 — CID 66196336

IUPAC1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2C(N)C3CCOC32)cc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-7-2-3-8(6-10(7)15)17-14(19)18-12-11(16)9-4-5-20-13(9)12/h2-3,6,9,11-13H,4-5,16H2,1H3,(H2,17,18,19)
InChIKeyHKOSTOPFWQCBDF-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.88
Rot. Bonds2

About 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea

1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea (PubChem CID 66196336) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea
PubChem CID66196336
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2C(N)C3CCOC32)cc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-7-2-3-8(6-10(7)15)17-14(19)18-12-11(16)9-4-5-20-13(9)12/h2-3,6,9,11-13H,4-5,16H2,1H3,(H2,17,18,19)
InChIKeyHKOSTOPFWQCBDF-UHFFFAOYSA-N
XLogP1.88
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea with MolForge

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-fluoro-4-methylbenzamide
CID 66196506
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-bromo-2-methylbenzamide
CID 66194773
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide
CID 66194783
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide
CID 107672150
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide
CID 66195347
4-[(3-chloro-4-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216656
N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide
CID 91795247
1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 24528836
1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
CID 63321445
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-chloro-2-methylbenzamide
CID 107098242

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea?
The IUPAC name of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea (CID 66196336) is 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea.
What is the SMILES notation for 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea?
The canonical SMILES for 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea is Cc1ccc(NC(=O)NC2C(N)C3CCOC32)cc1Cl.
What is the InChIKey of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea?
The InChIKey is HKOSTOPFWQCBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-7-2-3-8(6-10(7)15)17-14(19)18-12-11(16)9-4-5-20-13(9)12/h2-3,6,9,11-13H,4-5,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea?
1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea has a molecular weight of 295.77 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-(3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 66196336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).