1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea

C16H21ClN2O3 — CID 96579890

IUPAC1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)N[C@@H]1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H21ClN2O3/c17-12-2-1-3-13(10-12)18-15(20)19-14-4-7-22-16(11-14)5-8-21-9-6-16/h1-3,10,14H,4-9,11H2,(H2,18,19,20)/t14-/m1/s1
InChIKeyYBXRQBWCSZXSPY-CQSZACIVSA-N
MW324.81 g/mol
LogP3.19
Rot. Bonds2

About 1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea

1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea (PubChem CID 96579890) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea
PubChem CID96579890
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)N[C@@H]1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H21ClN2O3/c17-12-2-1-3-13(10-12)18-15(20)19-14-4-7-22-16(11-14)5-8-21-9-6-16/h1-3,10,14H,4-9,11H2,(H2,18,19,20)/t14-/m1/s1
InChIKeyYBXRQBWCSZXSPY-CQSZACIVSA-N
XLogP3.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-6-(2,6-dioxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide
CID 127729044
1-(3,5-dichlorophenyl)-3-[(5R,9S)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]urea
CID 99781045
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,9-dioxaspiro[5.5]undecan-4-yl)urea
CID 128676663
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea
CID 127601692
1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97077585
1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-chlorophenyl)urea
CID 43596745
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
(3-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79912670
1-(3-chlorophenyl)-3-(6-oxopiperidin-3-yl)urea
CID 62491459
1-(3-chlorophenyl)-3-[(1S,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1461552
2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide
CID 99970364
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide
CID 99972757

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea (CID 96579890) is 1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea is O=C(Nc1cccc(Cl)c1)N[C@@H]1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea?
The InChIKey is YBXRQBWCSZXSPY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c17-12-2-1-3-13(10-12)18-15(20)19-14-4-7-22-16(11-14)5-8-21-9-6-16/h1-3,10,14H,4-9,11H2,(H2,18,19,20)/t14-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea?
1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea has a molecular weight of 324.81 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea is sourced from PubChem (CID 96579890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).