1-[(3-fluorobenzoyl)amino]-3-phenylurea

C14H12FN3O2 — CID 3412170

IUPAC1-[(3-fluorobenzoyl)amino]-3-phenylurea
SMILESO=C(NNC(=O)c1cccc(F)c1)Nc1ccccc1
InChIInChI=1S/C14H12FN3O2/c15-11-6-4-5-10(9-11)13(19)17-18-14(20)16-12-7-2-1-3-8-12/h1-9H,(H,17,19)(H2,16,18,20)
InChIKeyDVLJWVBVFXLZHE-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.29
Rot. Bonds2

About 1-[(3-fluorobenzoyl)amino]-3-phenylurea

1-[(3-fluorobenzoyl)amino]-3-phenylurea (PubChem CID 3412170) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 1-[(3-fluorobenzoyl)amino]-3-phenylurea.

Molecular Properties

Compound Name1-[(3-fluorobenzoyl)amino]-3-phenylurea
PubChem CID3412170
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name1-[(3-fluorobenzoyl)amino]-3-phenylurea
SMILESO=C(NNC(=O)c1cccc(F)c1)Nc1ccccc1
InChIInChI=1S/C14H12FN3O2/c15-11-6-4-5-10(9-11)13(19)17-18-14(20)16-12-7-2-1-3-8-12/h1-9H,(H,17,19)(H2,16,18,20)
InChIKeyDVLJWVBVFXLZHE-UHFFFAOYSA-N
XLogP2.29
TPSA70.23 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 ≤ 52.29
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-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea
CID 141393999
1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea
CID 163182175
1-benzamido-3-(3-methylphenyl)urea
CID 19798346
1-phenyl-3-[(4-phenylbenzoyl)amino]urea
CID 819364
3-fluoro-N'-sulfanylbenzohydrazide
CID 174650395
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
3-fluoro-N-hydroxybenzamide
CID 5082377
N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
CID 7759216
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide
CID 87472404

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorobenzoyl)amino]-3-phenylurea?
The IUPAC name of 1-[(3-fluorobenzoyl)amino]-3-phenylurea (CID 3412170) is 1-[(3-fluorobenzoyl)amino]-3-phenylurea.
What is the SMILES notation for 1-[(3-fluorobenzoyl)amino]-3-phenylurea?
The canonical SMILES for 1-[(3-fluorobenzoyl)amino]-3-phenylurea is O=C(NNC(=O)c1cccc(F)c1)Nc1ccccc1.
What is the InChIKey of 1-[(3-fluorobenzoyl)amino]-3-phenylurea?
The InChIKey is DVLJWVBVFXLZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-11-6-4-5-10(9-11)13(19)17-18-14(20)16-12-7-2-1-3-8-12/h1-9H,(H,17,19)(H2,16,18,20).
What are the key properties of 1-[(3-fluorobenzoyl)amino]-3-phenylurea?
1-[(3-fluorobenzoyl)amino]-3-phenylurea has a molecular weight of 273.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorobenzoyl)amino]-3-phenylurea is sourced from PubChem (CID 3412170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).