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

C13H16Cl2N2O3 — CID 110936237

IUPAC1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESO=C(NCC1(O)CCOCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N2O3/c14-9-2-1-3-10(11(9)15)17-12(18)16-8-13(19)4-6-20-7-5-13/h1-3,19H,4-8H2,(H2,16,17,18)
InChIKeyNQACCKZIPWNQDH-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.66
Rot. Bonds3

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

1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea (PubChem CID 110936237) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
PubChem CID110936237
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Name1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
SMILESO=C(NCC1(O)CCOCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N2O3/c14-9-2-1-3-10(11(9)15)17-12(18)16-8-13(19)4-6-20-7-5-13/h1-3,19H,4-8H2,(H2,16,17,18)
InChIKeyNQACCKZIPWNQDH-UHFFFAOYSA-N
XLogP2.66
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936276
1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936339
1-[[(2,3-dichlorophenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446379
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
1-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
1-(3-chloro-4-methylphenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 78929604
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437655

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea (CID 110936237) is 1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea is O=C(NCC1(O)CCOCC1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea?
The InChIKey is NQACCKZIPWNQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c14-9-2-1-3-10(11(9)15)17-12(18)16-8-13(19)4-6-20-7-5-13/h1-3,19H,4-8H2,(H2,16,17,18).
What are the key properties of 1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea?
1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea has a molecular weight of 319.19 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea is sourced from PubChem (CID 110936237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).