1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea

C14H19ClN2O3 — CID 111976344

IUPAC1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
SMILESCOc1c(Cl)cccc1NC(=O)NC(C)(CO)C1CC1
InChIInChI=1S/C14H19ClN2O3/c1-14(8-18,9-6-7-9)17-13(19)16-11-5-3-4-10(15)12(11)20-2/h3-5,9,18H,6-8H2,1-2H3,(H2,16,17,19)
InChIKeyHJKCWVLGPDVYTJ-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.63
Rot. Bonds5

About 1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea

1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea (PubChem CID 111976344) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
PubChem CID111976344
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
SMILESCOc1c(Cl)cccc1NC(=O)NC(C)(CO)C1CC1
InChIInChI=1S/C14H19ClN2O3/c1-14(8-18,9-6-7-9)17-13(19)16-11-5-3-4-10(15)12(11)20-2/h3-5,9,18H,6-8H2,1-2H3,(H2,16,17,19)
InChIKeyHJKCWVLGPDVYTJ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea
CID 111976449
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 111976218
1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976246
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976400
1-(3-chloro-2-methoxyphenyl)-3-cyclohexylurea
CID 5148075
1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 71992522
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluorophenyl)urea
CID 111976013
N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide
CID 110025035
2-(3-chloro-2-methoxyanilino)ethanol
CID 130667587
1-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
CID 111976036
1-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-chloro-2-(2-chlorophenyl)phenyl]urea
CID 167873930

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea (CID 111976344) is 1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea is COc1c(Cl)cccc1NC(=O)NC(C)(CO)C1CC1.
What is the InChIKey of 1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
The InChIKey is HJKCWVLGPDVYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-14(8-18,9-6-7-9)17-13(19)16-11-5-3-4-10(15)12(11)20-2/h3-5,9,18H,6-8H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea?
1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea has a molecular weight of 298.77 g/mol, XLogP of 2.63, 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-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 111976344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).