1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea

C17H18FN3O4 — CID 142737415

IUPAC1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea
SMILESCOc1ccc(CC(=O)NNC(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C17H18FN3O4/c1-24-14-8-7-11(9-15(14)25-2)10-16(22)20-21-17(23)19-13-6-4-3-5-12(13)18/h3-9H,10H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyYVWNMUYATSYEIH-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.24
Rot. Bonds5

About 1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea

1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea (PubChem CID 142737415) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea
PubChem CID142737415
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea
SMILESCOc1ccc(CC(=O)NNC(=O)Nc2ccccc2F)cc1OC
InChIInChI=1S/C17H18FN3O4/c1-24-14-8-7-11(9-15(14)25-2)10-16(22)20-21-17(23)19-13-6-4-3-5-12(13)18/h3-9H,10H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyYVWNMUYATSYEIH-UHFFFAOYSA-N
XLogP2.24
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 41484310
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]-methylazanium
CID 8583994
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2-hydroxybenzohydrazide
CID 7535074
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-(3,4-dimethoxyphenyl)-N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 23732255
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228
1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
CID 4516972
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599157
2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
CID 9042833

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea (CID 142737415) is 1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea is COc1ccc(CC(=O)NNC(=O)Nc2ccccc2F)cc1OC.
What is the InChIKey of 1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea?
The InChIKey is YVWNMUYATSYEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-24-14-8-7-11(9-15(14)25-2)10-16(22)20-21-17(23)19-13-6-4-3-5-12(13)18/h3-9H,10H2,1-2H3,(H,20,22)(H2,19,21,23).
What are the key properties of 1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea?
1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea has a molecular weight of 347.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 142737415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).