1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea

C14H19FN2O2 — CID 111976449

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea
SMILESCc1c(F)cccc1NC(=O)NC(C)(CO)C1CC1
InChIInChI=1S/C14H19FN2O2/c1-9-11(15)4-3-5-12(9)16-13(19)17-14(2,8-18)10-6-7-10/h3-5,10,18H,6-8H2,1-2H3,(H2,16,17,19)
InChIKeyQVMWVBAFXCEORK-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.42
Rot. Bonds4

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea (PubChem CID 111976449) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea
PubChem CID111976449
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea
SMILESCc1c(F)cccc1NC(=O)NC(C)(CO)C1CC1
InChIInChI=1S/C14H19FN2O2/c1-9-11(15)4-3-5-12(9)16-13(19)17-14(2,8-18)10-6-7-10/h3-5,10,18H,6-8H2,1-2H3,(H2,16,17,19)
InChIKeyQVMWVBAFXCEORK-UHFFFAOYSA-N
XLogP2.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 111976218
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluorophenyl)urea
CID 111976013
1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976246
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
CID 111976036
1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976344
1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976434
3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide
CID 64678036
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976400
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea
CID 111976204
1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 113322039
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea
CID 111976325
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea
CID 138042025

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea (CID 111976449) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea is Cc1c(F)cccc1NC(=O)NC(C)(CO)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea?
The InChIKey is QVMWVBAFXCEORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-11(15)4-3-5-12(9)16-13(19)17-14(2,8-18)10-6-7-10/h3-5,10,18H,6-8H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea has a molecular weight of 266.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea is sourced from PubChem (CID 111976449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).