1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea

C14H13F2N3O2 — CID 43288460

IUPAC1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
SMILESCOc1cc(N)ccc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H13F2N3O2/c1-21-13-7-9(17)3-5-12(13)19-14(20)18-11-4-2-8(15)6-10(11)16/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyFTZLMQNUWPNWTO-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.20
Rot. Bonds3

About 1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea

1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea (PubChem CID 43288460) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
PubChem CID43288460
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
SMILESCOc1cc(N)ccc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H13F2N3O2/c1-21-13-7-9(17)3-5-12(13)19-14(20)18-11-4-2-8(15)6-10(11)16/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyFTZLMQNUWPNWTO-UHFFFAOYSA-N
XLogP3.20
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.20
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-fluorophenyl)urea
CID 16777814
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
1-(4-amino-2-methoxyphenyl)-3-(2,5-dichlorophenyl)urea
CID 43554951
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467
N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956
2-amino-N-(2,4-difluorophenyl)-6-methoxybenzamide
CID 81410622
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200
1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 107334345
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63185657
5-amino-N-(4-fluoro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81317431
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea (CID 43288460) is 1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea is COc1cc(N)ccc1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea?
The InChIKey is FTZLMQNUWPNWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-21-13-7-9(17)3-5-12(13)19-14(20)18-11-4-2-8(15)6-10(11)16/h2-7H,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea?
1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea has a molecular weight of 293.27 g/mol, XLogP of 3.20, 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-(2,4-difluorophenyl)urea is sourced from PubChem (CID 43288460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).