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

C14H13FN4O2 — CID 141393999

IUPAC1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea
SMILESO=C(NNNC(=O)c1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C14H13FN4O2/c15-11-7-4-8-12(9-11)16-14(21)18-19-17-13(20)10-5-2-1-3-6-10/h1-9,19H,(H,17,20)(H2,16,18,21)
InChIKeyKOUOPUIUXHDPEW-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.80
Rot. Bonds4

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

1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea (PubChem CID 141393999) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea
PubChem CID141393999
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea
SMILESO=C(NNNC(=O)c1ccccc1)Nc1cccc(F)c1
InChIInChI=1S/C14H13FN4O2/c15-11-7-4-8-12(9-11)16-14(21)18-19-17-13(20)10-5-2-1-3-6-10/h1-9,19H,(H,17,20)(H2,16,18,21)
InChIKeyKOUOPUIUXHDPEW-UHFFFAOYSA-N
XLogP1.80
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-fluorobenzoyl)amino]-3-phenylurea
CID 3412170
1-benzamido-3-(3-methylphenyl)urea
CID 19798346
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide
CID 47779233
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
4-N-(2-fluorophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049881
1-phenyl-3-[(4-phenylbenzoyl)amino]urea
CID 819364
1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea
CID 108909659
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea (CID 141393999) is 1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea is O=C(NNNC(=O)c1ccccc1)Nc1cccc(F)c1.
What is the InChIKey of 1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea?
The InChIKey is KOUOPUIUXHDPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c15-11-7-4-8-12(9-11)16-14(21)18-19-17-13(20)10-5-2-1-3-6-10/h1-9,19H,(H,17,20)(H2,16,18,21).
What are the key properties of 1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea?
1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea has a molecular weight of 288.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 141393999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).