1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea

C16H20F2N2O2 — CID 71985603

IUPAC1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCC1(O)CCC1)NC(c1cc(F)ccc1F)C1CC1
InChIInChI=1S/C16H20F2N2O2/c17-11-4-5-13(18)12(8-11)14(10-2-3-10)20-15(21)19-9-16(22)6-1-7-16/h4-5,8,10,14,22H,1-3,6-7,9H2,(H2,19,20,21)
InChIKeyXQTNEBYJUVWBII-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.63
Rot. Bonds5

About 1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea

1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 71985603) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID71985603
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCC1(O)CCC1)NC(c1cc(F)ccc1F)C1CC1
InChIInChI=1S/C16H20F2N2O2/c17-11-4-5-13(18)12(8-11)14(10-2-3-10)20-15(21)19-9-16(22)6-1-7-16/h4-5,8,10,14,22H,1-3,6-7,9H2,(H2,19,20,21)
InChIKeyXQTNEBYJUVWBII-UHFFFAOYSA-N
XLogP2.63
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 71985603) is 1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea is O=C(NCC1(O)CCC1)NC(c1cc(F)ccc1F)C1CC1.
What is the InChIKey of 1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is XQTNEBYJUVWBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c17-11-4-5-13(18)12(8-11)14(10-2-3-10)20-15(21)19-9-16(22)6-1-7-16/h4-5,8,10,14,22H,1-3,6-7,9H2,(H2,19,20,21).
What are the key properties of 1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 310.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 71985603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).