1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea

C14H19ClN2O3 — CID 111437655

IUPAC1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCCOc1c(Cl)cccc1NC(=O)NCC1(O)CCC1
InChIInChI=1S/C14H19ClN2O3/c1-2-20-12-10(15)5-3-6-11(12)17-13(18)16-9-14(19)7-4-8-14/h3,5-6,19H,2,4,7-9H2,1H3,(H2,16,17,18)
InChIKeyKUYOJVNWZXHFMB-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.78
Rot. Bonds5

About 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea

1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111437655) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111437655
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCCOc1c(Cl)cccc1NC(=O)NCC1(O)CCC1
InChIInChI=1S/C14H19ClN2O3/c1-2-20-12-10(15)5-3-6-11(12)17-13(18)16-9-14(19)7-4-8-14/h3,5-6,19H,2,4,7-9H2,1H3,(H2,16,17,18)
InChIKeyKUYOJVNWZXHFMB-UHFFFAOYSA-N
XLogP2.78
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103677
1-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 47442366
1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437639
1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110902856
1-(3-chloro-2-ethoxyphenyl)-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]urea
CID 71972782
1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521389
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515
1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936237
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103751
3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea
CID 150580379

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111437655) is 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea is CCOc1c(Cl)cccc1NC(=O)NCC1(O)CCC1.
What is the InChIKey of 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is KUYOJVNWZXHFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-2-20-12-10(15)5-3-6-11(12)17-13(18)16-9-14(19)7-4-8-14/h3,5-6,19H,2,4,7-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 298.77 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111437655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).