1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea

C20H16FN3O2 — CID 24819044

IUPAC1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea
SMILESO=C(NNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1F
InChIInChI=1S/C20H16FN3O2/c21-17-8-4-5-9-18(17)22-20(26)24-23-19(25)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,23,25)(H2,22,24,26)
InChIKeySFYXDXHHUPEIDK-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.96
Rot. Bonds3

About 1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea

1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea (PubChem CID 24819044) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea
PubChem CID24819044
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea
SMILESO=C(NNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1F
InChIInChI=1S/C20H16FN3O2/c21-17-8-4-5-9-18(17)22-20(26)24-23-19(25)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,23,25)(H2,22,24,26)
InChIKeySFYXDXHHUPEIDK-UHFFFAOYSA-N
XLogP3.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.96
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-phenyl-3-[(4-phenylbenzoyl)amino]urea
CID 819364
N-(2,5-difluorophenyl)-4-phenylbenzamide
CID 7958887
1-(2,2-dimethylpropanoylamino)-3-(2-fluorophenyl)urea
CID 17269898
N-(2-fluorophenyl)-4-phenoxybenzamide
CID 7915018
4-hydroxy-N'-[1-(4-phenylphenyl)ethenyl]benzohydrazide
CID 2285498
1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea
CID 107612572
N-(2-acetylphenyl)-4-phenylbenzamide
CID 4799727
4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180579
1-benzamido-3-(2-nitrophenyl)urea
CID 91390180
4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
CID 8780386
4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 58417486
1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
CID 5140613

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea (CID 24819044) is 1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea is O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea?
The InChIKey is SFYXDXHHUPEIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-17-8-4-5-9-18(17)22-20(26)24-23-19(25)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,23,25)(H2,22,24,26).
What are the key properties of 1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea?
1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea has a molecular weight of 349.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea is sourced from PubChem (CID 24819044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).