1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea

C14H19ClN2O2 — CID 118782410

IUPAC1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea
SMILESO=C(NCCC1CCCOC1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-12-4-1-5-13(9-12)17-14(18)16-7-6-11-3-2-8-19-10-11/h1,4-5,9,11H,2-3,6-8,10H2,(H2,16,17,18)
InChIKeyRCWYYQIZPNCXIX-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.28
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea

1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea (PubChem CID 118782410) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea
PubChem CID118782410
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea
SMILESO=C(NCCC1CCCOC1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-12-4-1-5-13(9-12)17-14(18)16-7-6-11-3-2-8-19-10-11/h1,4-5,9,11H,2-3,6-8,10H2,(H2,16,17,18)
InChIKeyRCWYYQIZPNCXIX-UHFFFAOYSA-N
XLogP3.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-[2-(oxan-3-yl)ethyl]urea
CID 118771660
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea
CID 125159828
1-(3-chlorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 17423697
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40881802
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea
CID 118777650
1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea
CID 110748119
1-[2-[(3S)-oxan-3-yl]ethyl]-3-(2,3,5-trifluorophenyl)urea
CID 125177285
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106124989
1-[3-(aminomethyl)phenyl]-3-(2-cyclohexylethyl)urea
CID 60916116
1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea
CID 118763888

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea (CID 118782410) is 1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea is O=C(NCCC1CCCOC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea?
The InChIKey is RCWYYQIZPNCXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-12-4-1-5-13(9-12)17-14(18)16-7-6-11-3-2-8-19-10-11/h1,4-5,9,11H,2-3,6-8,10H2,(H2,16,17,18).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea?
1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea has a molecular weight of 282.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea is sourced from PubChem (CID 118782410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).