1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea

C14H14FN3O2 — CID 63256964

IUPAC1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(F)ccc2N)c1
InChIInChI=1S/C14H14FN3O2/c1-20-11-4-2-3-10(8-11)17-14(19)18-13-7-9(15)5-6-12(13)16/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyROPFDRZNFNHNHL-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.06
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea

1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea (PubChem CID 63256964) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
PubChem CID63256964
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(F)ccc2N)c1
InChIInChI=1S/C14H14FN3O2/c1-20-11-4-2-3-10(8-11)17-14(19)18-13-7-9(15)5-6-12(13)16/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyROPFDRZNFNHNHL-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-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 107698021
2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide
CID 156854115
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea
CID 103269220
N-(2-amino-5-methoxyphenyl)-3-fluorobenzamide
CID 63258141
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 69014425
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
1-[2-(1-aminoethyl)phenyl]-3-(3-methoxyphenyl)urea
CID 61310773
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea (CID 63256964) is 1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cc(F)ccc2N)c1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea?
The InChIKey is ROPFDRZNFNHNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-20-11-4-2-3-10(8-11)17-14(19)18-13-7-9(15)5-6-12(13)16/h2-8H,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea?
1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)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-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 63256964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).