1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea

C21H24F2N2O2 — CID 55766886

IUPAC1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea
SMILESCC(NC(=O)N(Cc1ccc(C2CC2C)o1)C1CC1)c1ccc(F)cc1F
InChIInChI=1S/C21H24F2N2O2/c1-12-9-18(12)20-8-6-16(27-20)11-25(15-4-5-15)21(26)24-13(2)17-7-3-14(22)10-19(17)23/h3,6-8,10,12-13,15,18H,4-5,9,11H2,1-2H3,(H,24,26)
InChIKeyDFFWXOHLDIOTPX-UHFFFAOYSA-N
MW374.43 g/mol
LogP5.12
Rot. Bonds6

About 1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea

1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea (PubChem CID 55766886) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea
PubChem CID55766886
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea
SMILESCC(NC(=O)N(Cc1ccc(C2CC2C)o1)C1CC1)c1ccc(F)cc1F
InChIInChI=1S/C21H24F2N2O2/c1-12-9-18(12)20-8-6-16(27-20)11-25(15-4-5-15)21(26)24-13(2)17-7-3-14(22)10-19(17)23/h3,6-8,10,12-13,15,18H,4-5,9,11H2,1-2H3,(H,24,26)
InChIKeyDFFWXOHLDIOTPX-UHFFFAOYSA-N
XLogP5.12
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea with MolForge

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Related Compounds

1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 94160880
1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94119972
1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea
CID 71938740
2-cyclopentyl-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 78778579
2-amino-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
CID 54869738
1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94182837
1-cyclopropyl-3-(3-ethylsulfonylphenyl)-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea
CID 86973127
trans-(1R,2R)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124834541
1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 94120163
3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide
CID 55809322
1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94181903
2,5-difluoro-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzenesulfonamide
CID 47015124

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea (CID 55766886) is 1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea is CC(NC(=O)N(Cc1ccc(C2CC2C)o1)C1CC1)c1ccc(F)cc1F.
What is the InChIKey of 1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea?
The InChIKey is DFFWXOHLDIOTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-12-9-18(12)20-8-6-16(27-20)11-25(15-4-5-15)21(26)24-13(2)17-7-3-14(22)10-19(17)23/h3,6-8,10,12-13,15,18H,4-5,9,11H2,1-2H3,(H,24,26).
What are the key properties of 1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea?
1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea has a molecular weight of 374.43 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea is sourced from PubChem (CID 55766886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).