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

C15H12FN3O2 — CID 62315446

IUPAC1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C15H12FN3O2/c1-21-14-5-3-2-4-13(14)19-15(20)18-11-6-7-12(16)10(8-11)9-17/h2-8H,1H3,(H2,18,19,20)
InChIKeyCBAGFEUICDLRFJ-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.35
Rot. Bonds3

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

1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea (PubChem CID 62315446) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea
PubChem CID62315446
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C15H12FN3O2/c1-21-14-5-3-2-4-13(14)19-15(20)18-11-6-7-12(16)10(8-11)9-17/h2-8H,1H3,(H2,18,19,20)
InChIKeyCBAGFEUICDLRFJ-UHFFFAOYSA-N
XLogP3.35
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-2-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 43551365
1-(4-bromo-2-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 82695331
1-(3-amino-4-methoxyphenyl)-3-(2-methoxyphenyl)urea
CID 43602334
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 171392953
1-(2-amino-4-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 78965201
CID 168763596
CID 168763596
1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057618
1-[3-(2-fluorophenyl)prop-2-ynyl]-3-(2-methoxyphenyl)urea
CID 90552571
N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 62315790
1-(2,3-dihydro-1H-indol-5-yl)-3-(2-methoxyphenyl)urea
CID 63252912
1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea
CID 108991974

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea (CID 62315446) is 1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of 1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea?
The InChIKey is CBAGFEUICDLRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-21-14-5-3-2-4-13(14)19-15(20)18-11-6-7-12(16)10(8-11)9-17/h2-8H,1H3,(H2,18,19,20).
What are the key properties of 1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea?
1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea has a molecular weight of 285.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-4-fluorophenyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 62315446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).