1-anilino-3-(2-fluorophenyl)urea

C13H12FN3O — CID 4825618

IUPAC1-anilino-3-(2-fluorophenyl)urea
SMILESO=C(NNc1ccccc1)Nc1ccccc1F
InChIInChI=1S/C13H12FN3O/c14-11-8-4-5-9-12(11)15-13(18)17-16-10-6-2-1-3-7-10/h1-9,16H,(H2,15,17,18)
InChIKeyWSRQKWSHDBEKHD-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.97
Rot. Bonds3

About 1-anilino-3-(2-fluorophenyl)urea

1-anilino-3-(2-fluorophenyl)urea (PubChem CID 4825618) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 1-anilino-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-anilino-3-(2-fluorophenyl)urea
PubChem CID4825618
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name1-anilino-3-(2-fluorophenyl)urea
SMILESO=C(NNc1ccccc1)Nc1ccccc1F
InChIInChI=1S/C13H12FN3O/c14-11-8-4-5-9-12(11)15-13(18)17-16-10-6-2-1-3-7-10/h1-9,16H,(H2,15,17,18)
InChIKeyWSRQKWSHDBEKHD-UHFFFAOYSA-N
XLogP2.97
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.97
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

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Diphenylcarbazide
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CID 4868361
4-Phenylsemicarbazide
CID 10837
(2-Fluorophenyl)urea
CID 12606
1-phenyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
CID 135496810
Hydrazinecarboxamide, N,2-diphenyl-
CID 69299
4-Phenylsemicarbazide hydrochloride
CID 79505
N,2-Diphenylhydrazinecarbothioamide
CID 775364
2-acetyl-N-(3-fluorophenyl)hydrazinecarbothioamide
CID 2819305
1,1-Dimethyl-4-phenylsemicarbazide
CID 226638

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(2-fluorophenyl)urea?
The IUPAC name of 1-anilino-3-(2-fluorophenyl)urea (CID 4825618) is 1-anilino-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-anilino-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-anilino-3-(2-fluorophenyl)urea is O=C(NNc1ccccc1)Nc1ccccc1F.
What is the InChIKey of 1-anilino-3-(2-fluorophenyl)urea?
The InChIKey is WSRQKWSHDBEKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-11-8-4-5-9-12(11)15-13(18)17-16-10-6-2-1-3-7-10/h1-9,16H,(H2,15,17,18).
What are the key properties of 1-anilino-3-(2-fluorophenyl)urea?
1-anilino-3-(2-fluorophenyl)urea has a molecular weight of 245.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(2-fluorophenyl)urea is sourced from PubChem (CID 4825618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).