1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea

C14H14FN3O2 — CID 16777814

IUPAC1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea
SMILESCOc1cc(N)ccc1NC(=O)Nc1ccccc1F
InChIInChI=1S/C14H14FN3O2/c1-20-13-8-9(16)6-7-12(13)18-14(19)17-11-5-3-2-4-10(11)15/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyUCKAULKUPSBXAN-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.06
Rot. Bonds3

About 1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea

1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea (PubChem CID 16777814) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea
PubChem CID16777814
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea
SMILESCOc1cc(N)ccc1NC(=O)Nc1ccccc1F
InChIInChI=1S/C14H14FN3O2/c1-20-13-8-9(16)6-7-12(13)18-14(19)17-11-5-3-2-4-10(11)15/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyUCKAULKUPSBXAN-UHFFFAOYSA-N
XLogP3.06
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 43288460
1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16771122
1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea
CID 43554951
N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956
1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 43551365
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 43104129
methyl 5-amino-2-(2-fluoroanilino)benzoate
CID 61306024
1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea
CID 79766487
1-[2-(2-aminoethoxy)phenyl]-3-(2-fluorophenyl)urea
CID 43175667
N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide
CID 54852878
1-(2-amino-4-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 78965201

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea (CID 16777814) is 1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea is COc1cc(N)ccc1NC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea?
The InChIKey is UCKAULKUPSBXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-20-13-8-9(16)6-7-12(13)18-14(19)17-11-5-3-2-4-10(11)15/h2-8H,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea?
1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea has a molecular weight of 275.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 16777814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).