(3,5-difluorophenyl)methylurea

C8H8F2N2O — CID 112708056

IUPAC(3,5-difluorophenyl)methylurea
SMILESNC(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C8H8F2N2O/c9-6-1-5(2-7(10)3-6)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChIKeyZNXYFKPTSMZEFH-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.13
Rot. Bonds2

About (3,5-difluorophenyl)methylurea

(3,5-difluorophenyl)methylurea (PubChem CID 112708056) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is (3,5-difluorophenyl)methylurea.

Molecular Properties

Compound Name(3,5-difluorophenyl)methylurea
PubChem CID112708056
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name(3,5-difluorophenyl)methylurea
SMILESNC(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C8H8F2N2O/c9-6-1-5(2-7(10)3-6)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChIKeyZNXYFKPTSMZEFH-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
CID 58862460
(3-bromo-4-fluorophenyl)methylurea
CID 131036089
N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
CID 71822308
3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 62605689
benzene;benzylurea;hydrazine
CID 68793593
2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide
CID 126797423
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 58597427
4-[(3-chloro-5-fluorophenyl)methylamino]butanamide
CID 114452625
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
1-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 60501946
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
(3-ethylphenyl)methylurea
CID 70298508

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)methylurea?
The IUPAC name of (3,5-difluorophenyl)methylurea (CID 112708056) is (3,5-difluorophenyl)methylurea.
What is the SMILES notation for (3,5-difluorophenyl)methylurea?
The canonical SMILES for (3,5-difluorophenyl)methylurea is NC(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl)methylurea?
The InChIKey is ZNXYFKPTSMZEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c9-6-1-5(2-7(10)3-6)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13).
What are the key properties of (3,5-difluorophenyl)methylurea?
(3,5-difluorophenyl)methylurea has a molecular weight of 186.16 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)methylurea is sourced from PubChem (CID 112708056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).