[[4-(4-fluorophenyl)benzoyl]amino]urea

C14H12FN3O2 — CID 23433295

IUPAC[[4-(4-fluorophenyl)benzoyl]amino]urea
SMILESNC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FN3O2/c15-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(19)17-18-14(16)20/h1-8H,(H,17,19)(H3,16,18,20)
InChIKeyHGOKBRVLMAQMME-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.81
Rot. Bonds2

About [[4-(4-fluorophenyl)benzoyl]amino]urea

[[4-(4-fluorophenyl)benzoyl]amino]urea (PubChem CID 23433295) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is [[4-(4-fluorophenyl)benzoyl]amino]urea.

Molecular Properties

Compound Name[[4-(4-fluorophenyl)benzoyl]amino]urea
PubChem CID23433295
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name[[4-(4-fluorophenyl)benzoyl]amino]urea
SMILESNC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FN3O2/c15-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(19)17-18-14(16)20/h1-8H,(H,17,19)(H3,16,18,20)
InChIKeyHGOKBRVLMAQMME-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.81
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

N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
4-fluorobenzohydrazide
CID 9972
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670
N'-tert-butyl-4-fluorobenzohydrazide
CID 15617766
N'-(4-fluorobenzoyl)-4-(methoxymethyl)benzohydrazide
CID 8573769
N',2-bis(4-fluorobenzoyl)benzohydrazide
CID 55554421
[(2S,3S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 9037878
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
N-(1-aminoethylideneamino)-4-fluorobenzamide
CID 86065871
ethyl N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9038153
1-[(4-fluorobenzoyl)amino]-3-(3-methylbutan-2-yl)urea
CID 47159837

Frequently Asked Questions

What is the IUPAC name of [[4-(4-fluorophenyl)benzoyl]amino]urea?
The IUPAC name of [[4-(4-fluorophenyl)benzoyl]amino]urea (CID 23433295) is [[4-(4-fluorophenyl)benzoyl]amino]urea.
What is the SMILES notation for [[4-(4-fluorophenyl)benzoyl]amino]urea?
The canonical SMILES for [[4-(4-fluorophenyl)benzoyl]amino]urea is NC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of [[4-(4-fluorophenyl)benzoyl]amino]urea?
The InChIKey is HGOKBRVLMAQMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(19)17-18-14(16)20/h1-8H,(H,17,19)(H3,16,18,20).
What are the key properties of [[4-(4-fluorophenyl)benzoyl]amino]urea?
[[4-(4-fluorophenyl)benzoyl]amino]urea has a molecular weight of 273.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(4-fluorophenyl)benzoyl]amino]urea is sourced from PubChem (CID 23433295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).