1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea

C18H25FN2O2 — CID 75379224

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea
SMILESCC1CCc2c(F)cccc2C1NC(=O)N(C)CC(O)C1CC1
InChIInChI=1S/C18H25FN2O2/c1-11-6-9-13-14(4-3-5-15(13)19)17(11)20-18(23)21(2)10-16(22)12-7-8-12/h3-5,11-12,16-17,22H,6-10H2,1-2H3,(H,20,23)
InChIKeyBVLPQLAYFFWTSC-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea

1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea (PubChem CID 75379224) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea
PubChem CID75379224
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea
SMILESCC1CCc2c(F)cccc2C1NC(=O)N(C)CC(O)C1CC1
InChIInChI=1S/C18H25FN2O2/c1-11-6-9-13-14(4-3-5-15(13)19)17(11)20-18(23)21(2)10-16(22)12-7-8-12/h3-5,11-12,16-17,22H,6-10H2,1-2H3,(H,20,23)
InChIKeyBVLPQLAYFFWTSC-UHFFFAOYSA-N
XLogP2.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea with MolForge

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Related Compounds

3-Ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71857908
1-(3-Cyclopropyl-3-hydroxypropyl)-3-(naphthalen-1-ylmethyl)urea
CID 71787559
3-(1,2,3,3a,4,5-Hexahydroacenaphthylen-1-yl)-1-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 86790789
3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide
CID 86795747
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxypropyl)morpholine-4-carboxamide
CID 86795803
1-[1-(3,4-difluorophenyl)-2-methylpropyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 91650211
1-[[1-(Hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 121516045
1-(1-hydroxypropan-2-yl)-1-(2-hydroxypropyl)-3-(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)urea
CID 121578935
1-(2-cyclopentyloxyethyl)-3-[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 128187600
N-[1-(4-fluoronaphthalen-1-yl)ethyl]-4-hydroxyazepane-1-carboxamide
CID 132386484
3-hydroxy-2-methyl-N-[(4-methylnaphthalen-1-yl)methyl]piperidine-1-carboxamide
CID 132386727
1-(4-Hydroxycyclohexyl)-3-{[2-methyl-4-(trifluoromethyl)phenyl]methyl}urea
CID 99826064

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea (CID 75379224) is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea is CC1CCc2c(F)cccc2C1NC(=O)N(C)CC(O)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea?
The InChIKey is BVLPQLAYFFWTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-11-6-9-13-14(4-3-5-15(13)19)17(11)20-18(23)21(2)10-16(22)12-7-8-12/h3-5,11-12,16-17,22H,6-10H2,1-2H3,(H,20,23).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea?
1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea has a molecular weight of 320.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methylurea is sourced from PubChem (CID 75379224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).