1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea

C15H19ClN2O3 — CID 138010435

IUPAC1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
SMILESO=C(NCc1cccc(Cl)c1O)NC1CC12CCOCC2
InChIInChI=1S/C15H19ClN2O3/c16-11-3-1-2-10(13(11)19)9-17-14(20)18-12-8-15(12)4-6-21-7-5-15/h1-3,12,19H,4-9H2,(H2,17,18,20)
InChIKeyBBHRAGNEWHLKAS-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.41
Rot. Bonds3

About 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea

1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea (PubChem CID 138010435) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea.

Molecular Properties

Compound Name1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
PubChem CID138010435
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
SMILESO=C(NCc1cccc(Cl)c1O)NC1CC12CCOCC2
InChIInChI=1S/C15H19ClN2O3/c16-11-3-1-2-10(13(11)19)9-17-14(20)18-12-8-15(12)4-6-21-7-5-15/h1-3,12,19H,4-9H2,(H2,17,18,20)
InChIKeyBBHRAGNEWHLKAS-UHFFFAOYSA-N
XLogP2.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-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

1-[[4-(dimethylamino)-2-pyridinyl]methyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea
CID 164639997
1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[(S)-cyclobutyl(cyclopropyl)methyl]urea
CID 164642129
1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea
CID 167837329
1-benzyl-3-spiro[2.4]heptan-2-ylurea
CID 131137817
1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
CID 138010418
2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
CID 112554992
1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea
CID 124855187
1-(7-oxaspiro[3.5]nonan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 122276524
1-(1,3-benzodioxol-4-ylmethyl)-3-(1,8-dioxaspiro[4.5]decan-4-yl)urea
CID 136568777
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200
2-chloro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112554095
2-chloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 103965690

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea?
The IUPAC name of 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea (CID 138010435) is 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea.
What is the SMILES notation for 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea?
The canonical SMILES for 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea is O=C(NCc1cccc(Cl)c1O)NC1CC12CCOCC2.
What is the InChIKey of 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea?
The InChIKey is BBHRAGNEWHLKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-11-3-1-2-10(13(11)19)9-17-14(20)18-12-8-15(12)4-6-21-7-5-15/h1-3,12,19H,4-9H2,(H2,17,18,20).
What are the key properties of 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea?
1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea has a molecular weight of 310.78 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea is sourced from PubChem (CID 138010435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).