1-(4-fluoroanilino)-3-(4-fluorophenyl)urea

C13H11F2N3O — CID 27165314

IUPAC1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
SMILESO=C(NNc1ccc(F)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C13H11F2N3O/c14-9-1-5-11(6-2-9)16-13(19)18-17-12-7-3-10(15)4-8-12/h1-8,17H,(H2,16,18,19)
InChIKeyFLLHCRBINUXUSB-UHFFFAOYSA-N
MW263.25 g/mol
LogP3.11
Rot. Bonds3

About 1-(4-fluoroanilino)-3-(4-fluorophenyl)urea

1-(4-fluoroanilino)-3-(4-fluorophenyl)urea (PubChem CID 27165314) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 1-(4-fluoroanilino)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
PubChem CID27165314
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
SMILESO=C(NNc1ccc(F)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C13H11F2N3O/c14-9-1-5-11(6-2-9)16-13(19)18-17-12-7-3-10(15)4-8-12/h1-8,17H,(H2,16,18,19)
InChIKeyFLLHCRBINUXUSB-UHFFFAOYSA-N
XLogP3.11
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(4-fluoroanilino)urea
CID 10589488
1-(2-bromoanilino)-3-(4-fluorophenyl)urea
CID 17482426
methyl N-[(4-fluorophenyl)carbamoylamino]carbamate
CID 24535891
1-(4-fluoroanilino)-3-(3-nitrophenyl)urea
CID 51223381
1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea
CID 901022
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-fluoroanilino)urea
CID 110208558
N'-(4-fluorophenyl)prop-2-ynehydrazide
CID 130620285
1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea
CID 71496034
1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea
CID 71672992
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-[[4,6-bis[(4-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]-3-(4-chlorophenyl)urea
CID 178078599

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(4-fluoroanilino)-3-(4-fluorophenyl)urea (CID 27165314) is 1-(4-fluoroanilino)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(4-fluoroanilino)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(4-fluoroanilino)-3-(4-fluorophenyl)urea is O=C(NNc1ccc(F)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluoroanilino)-3-(4-fluorophenyl)urea?
The InChIKey is FLLHCRBINUXUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-9-1-5-11(6-2-9)16-13(19)18-17-12-7-3-10(15)4-8-12/h1-8,17H,(H2,16,18,19).
What are the key properties of 1-(4-fluoroanilino)-3-(4-fluorophenyl)urea?
1-(4-fluoroanilino)-3-(4-fluorophenyl)urea has a molecular weight of 263.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 27165314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).