1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea

C17H18FN3O3 — CID 41182201

IUPAC1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O3/c1-24-15-5-3-2-4-13(15)11-19-17(23)21-20-16(22)10-12-6-8-14(18)9-7-12/h2-9H,10-11H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyYUUHRIQBXYTTKI-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.91
Rot. Bonds5

About 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea

1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 41182201) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea
PubChem CID41182201
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O3/c1-24-15-5-3-2-4-13(15)11-19-17(23)21-20-16(22)10-12-6-8-14(18)9-7-12/h2-9H,10-11H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyYUUHRIQBXYTTKI-UHFFFAOYSA-N
XLogP1.91
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.91
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

2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-phenoxyphenyl)methyl]urea
CID 60600547
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 18159108
N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 40730249
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N'-[2-(2,5-dimethoxyphenyl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 78822007
(4-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9251927
N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 110771215
2-(4-fluorophenyl)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982646
2-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065353
N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946916
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea (CID 41182201) is 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)NNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is YUUHRIQBXYTTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-24-15-5-3-2-4-13(15)11-19-17(23)21-20-16(22)10-12-6-8-14(18)9-7-12/h2-9H,10-11H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea?
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 331.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 41182201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).