1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea

C15H20Cl2N2O3 — CID 110904192

IUPAC1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCC1(c2ccc(Cl)cc2Cl)CCOCC1
InChIInChI=1S/C15H20Cl2N2O3/c16-11-1-2-12(13(17)9-11)15(3-7-22-8-4-15)10-19-14(21)18-5-6-20/h1-2,9,20H,3-8,10H2,(H2,18,19,21)
InChIKeyDYFSQYBMKRNLAG-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.33
Rot. Bonds5

About 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea

1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea (PubChem CID 110904192) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea
PubChem CID110904192
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCC1(c2ccc(Cl)cc2Cl)CCOCC1
InChIInChI=1S/C15H20Cl2N2O3/c16-11-1-2-12(13(17)9-11)15(3-7-22-8-4-15)10-19-14(21)18-5-6-20/h1-2,9,20H,3-8,10H2,(H2,18,19,21)
InChIKeyDYFSQYBMKRNLAG-UHFFFAOYSA-N
XLogP2.33
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 71886523
N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide
CID 86833800
N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3,5-dinitrobenzamide
CID 60573341
2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120987373
(2R,3S)-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927859
1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110939517
1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111406737
3-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]oxolan-2-one
CID 56805422
methyl 1-[N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254642
tert-butyl 2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 60575510
2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea (CID 110904192) is 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)NCC1(c2ccc(Cl)cc2Cl)CCOCC1.
What is the InChIKey of 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea?
The InChIKey is DYFSQYBMKRNLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c16-11-1-2-12(13(17)9-11)15(3-7-22-8-4-15)10-19-14(21)18-5-6-20/h1-2,9,20H,3-8,10H2,(H2,18,19,21).
What are the key properties of 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea?
1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea has a molecular weight of 347.24 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110904192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).