1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea

C16H14FN3O3 — CID 971459

IUPAC1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea
SMILESCC(=O)c1cccc(NC(=O)NNC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H14FN3O3/c1-10(21)11-5-4-6-12(9-11)18-16(23)20-19-15(22)13-7-2-3-8-14(13)17/h2-9H,1H3,(H,19,22)(H2,18,20,23)
InChIKeyJJBJWGDHGIFHCK-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.49
Rot. Bonds3

About 1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea

1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea (PubChem CID 971459) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea
PubChem CID971459
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea
SMILESCC(=O)c1cccc(NC(=O)NNC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H14FN3O3/c1-10(21)11-5-4-6-12(9-11)18-16(23)20-19-15(22)13-7-2-3-8-14(13)17/h2-9H,1H3,(H,19,22)(H2,18,20,23)
InChIKeyJJBJWGDHGIFHCK-UHFFFAOYSA-N
XLogP2.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-(3-acetylphenyl)-3-(2-bromo-6-fluorophenyl)urea
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1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea
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1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea
CID 60609638
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158103
1-benzamido-3-(3-methylphenyl)urea
CID 19798346
2-fluoro-N'-[3-(methylsulfanylmethyl)benzoyl]benzohydrazide
CID 9274402
1-[(3-fluorobenzoyl)amino]-3-phenylurea
CID 3412170
N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide
CID 26162428
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-fluorobenzamide
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CID 82773116

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea (CID 971459) is 1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea is CC(=O)c1cccc(NC(=O)NNC(=O)c2ccccc2F)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea?
The InChIKey is JJBJWGDHGIFHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-10(21)11-5-4-6-12(9-11)18-16(23)20-19-15(22)13-7-2-3-8-14(13)17/h2-9H,1H3,(H,19,22)(H2,18,20,23).
What are the key properties of 1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea?
1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea has a molecular weight of 315.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea is sourced from PubChem (CID 971459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).