1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea

C18H23FN2O2 — CID 99843111

IUPAC1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea
SMILESO=C(N[C@@H]1CCO[C@H](C2CC2)C1)N[C@@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H23FN2O2/c19-13-5-3-11(4-6-13)15-10-16(15)21-18(22)20-14-7-8-23-17(9-14)12-1-2-12/h3-6,12,14-17H,1-2,7-10H2,(H2,20,21,22)/t14-,15+,16-,17+/m1/s1
InChIKeyIQLPKAZSOLXFAM-TWMKSMIVSA-N
MW318.39 g/mol
LogP2.94
Rot. Bonds4

About 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea

1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea (PubChem CID 99843111) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea
PubChem CID99843111
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea
SMILESO=C(N[C@@H]1CCO[C@H](C2CC2)C1)N[C@@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H23FN2O2/c19-13-5-3-11(4-6-13)15-10-16(15)21-18(22)20-14-7-8-23-17(9-14)12-1-2-12/h3-6,12,14-17H,1-2,7-10H2,(H2,20,21,22)/t14-,15+,16-,17+/m1/s1
InChIKeyIQLPKAZSOLXFAM-TWMKSMIVSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyclopropyloxan-4-yl)-3-[2-(difluoromethoxy)-5-fluorophenyl]urea
CID 75507899
N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide
CID 124571830
1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 86793358
4-[[2-(4-fluorophenyl)oxan-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122009820
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124845954
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methyl-3-methylsulfanylphenyl)urea
CID 125137959
1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea
CID 86793796
N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 97308523
cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319586
1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]urea
CID 97062909
1-(2-cyclopropyloxan-4-yl)-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea
CID 86793317
1-(2-cyclopropyloxan-4-yl)-3-(3-ethylsulfanylcyclopentyl)urea
CID 86793360

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea?
The IUPAC name of 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea (CID 99843111) is 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea.
What is the SMILES notation for 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea?
The canonical SMILES for 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea is O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N[C@@H]1C[C@H]1c1ccc(F)cc1.
What is the InChIKey of 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea?
The InChIKey is IQLPKAZSOLXFAM-TWMKSMIVSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-13-5-3-11(4-6-13)15-10-16(15)21-18(22)20-14-7-8-23-17(9-14)12-1-2-12/h3-6,12,14-17H,1-2,7-10H2,(H2,20,21,22)/t14-,15+,16-,17+/m1/s1.
What are the key properties of 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea?
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea has a molecular weight of 318.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]urea is sourced from PubChem (CID 99843111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).