1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea

C17H25FN2O2 — CID 111506642

IUPAC1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
SMILESCC(C)(CCO)CNC(=O)NCC1(c2cccc(F)c2)CC1
InChIInChI=1S/C17H25FN2O2/c1-16(2,8-9-21)11-19-15(22)20-12-17(6-7-17)13-4-3-5-14(18)10-13/h3-5,10,21H,6-9,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyMRAKXVYPCVKYPO-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.57
Rot. Bonds7

About 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea

1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea (PubChem CID 111506642) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea.

Molecular Properties

Compound Name1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
PubChem CID111506642
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
SMILESCC(C)(CCO)CNC(=O)NCC1(c2cccc(F)c2)CC1
InChIInChI=1S/C17H25FN2O2/c1-16(2,8-9-21)11-19-15(22)20-12-17(6-7-17)13-4-3-5-14(18)10-13/h3-5,10,21H,6-9,11-12H2,1-2H3,(H2,19,20,22)
InChIKeyMRAKXVYPCVKYPO-UHFFFAOYSA-N
XLogP2.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504896
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
1-[2-(3-fluorophenoxy)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504937
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025489
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 110479509
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 110482056
N-[2-[[N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111638131
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
CID 103772448
N-ethyl-2-[[ethylamino-[[1-(3-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]acetamide
CID 111638688

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The IUPAC name of 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea (CID 111506642) is 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea.
What is the SMILES notation for 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The canonical SMILES for 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea is CC(C)(CCO)CNC(=O)NCC1(c2cccc(F)c2)CC1.
What is the InChIKey of 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The InChIKey is MRAKXVYPCVKYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-16(2,8-9-21)11-19-15(22)20-12-17(6-7-17)13-4-3-5-14(18)10-13/h3-5,10,21H,6-9,11-12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea?
1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea has a molecular weight of 308.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea is sourced from PubChem (CID 111506642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).