1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea

C15H20F2N2O2 — CID 97054888

IUPAC1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea
SMILESC[C@H](CCCO)NC(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O2/c1-9(3-2-6-20)18-15(21)19-14-8-12(14)11-5-4-10(16)7-13(11)17/h4-5,7,9,12,14,20H,2-3,6,8H2,1H3,(H2,18,19,21)/t9-,12-,14+/m1/s1
InChIKeyLVUXYMBNJVCTHD-IUPBHXKESA-N
MW298.33 g/mol
LogP2.28
Rot. Bonds6

About 1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea

1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea (PubChem CID 97054888) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea
PubChem CID97054888
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea
SMILESC[C@H](CCCO)NC(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O2/c1-9(3-2-6-20)18-15(21)19-14-8-12(14)11-5-4-10(16)7-13(11)17/h4-5,7,9,12,14,20H,2-3,6,8H2,1H3,(H2,18,19,21)/t9-,12-,14+/m1/s1
InChIKeyLVUXYMBNJVCTHD-IUPBHXKESA-N
XLogP2.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]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-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea
CID 111104275
1-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 96527477
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
CID 71921543
1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
1-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-3-[(2R)-5-hydroxypentan-2-yl]urea
CID 97222978
2-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119432498
3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid
CID 119207545
4-acetyl-N-[2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide
CID 126813051
(2R)-2-cyano-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-3-oxo-N-propan-2-ylpropanamide
CID 98359943
4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide
CID 166247059
cis-(1R,2S)-2-(2,4-difluorophenyl)-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]cyclopropane-1-carboxamide
CID 95625422
4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 124700868

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea?
The IUPAC name of 1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea (CID 97054888) is 1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea.
What is the SMILES notation for 1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea?
The canonical SMILES for 1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea is C[C@H](CCCO)NC(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1F.
What is the InChIKey of 1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea?
The InChIKey is LVUXYMBNJVCTHD-IUPBHXKESA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-9(3-2-6-20)18-15(21)19-14-8-12(14)11-5-4-10(16)7-13(11)17/h4-5,7,9,12,14,20H,2-3,6,8H2,1H3,(H2,18,19,21)/t9-,12-,14+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea?
1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea has a molecular weight of 298.33 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea is sourced from PubChem (CID 97054888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).