3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea

C17H17F2N3O3 — CID 18144096

IUPAC3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CN(C)C(=O)NNC(=O)c2ccc(F)cc2)cc1F
InChIInChI=1S/C17H17F2N3O3/c1-22(10-11-3-8-15(25-2)14(19)9-11)17(24)21-20-16(23)12-4-6-13(18)7-5-12/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFYQJZPVGDFWUJL-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.46
Rot. Bonds4

About 3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea

3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea (PubChem CID 18144096) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
PubChem CID18144096
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CN(C)C(=O)NNC(=O)c2ccc(F)cc2)cc1F
InChIInChI=1S/C17H17F2N3O3/c1-22(10-11-3-8-15(25-2)14(19)9-11)17(24)21-20-16(23)12-4-6-13(18)7-5-12/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFYQJZPVGDFWUJL-UHFFFAOYSA-N
XLogP2.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]-1-methylurea
CID 86916189
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
CID 18196329
2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78796586
1-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-fluorobenzoyl)amino]-1-methylurea
CID 86867232
1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421791

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea (CID 18144096) is 3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea is COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(F)cc2)cc1F.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is FYQJZPVGDFWUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-22(10-11-3-8-15(25-2)14(19)9-11)17(24)21-20-16(23)12-4-6-13(18)7-5-12/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea?
3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 349.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 18144096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).