1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea

C14H13F2N3O2 — CID 91660536

IUPAC1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea
SMILESCOc1cc(F)cc(CNC(=O)Nc2ccncc2F)c1
InChIInChI=1S/C14H13F2N3O2/c1-21-11-5-9(4-10(15)6-11)7-18-14(20)19-13-2-3-17-8-12(13)16/h2-6,8H,7H2,1H3,(H2,17,18,19,20)
InChIKeyNGGSQJFECZFVIY-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.69
Rot. Bonds4

About 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea

1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea (PubChem CID 91660536) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea
PubChem CID91660536
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea
SMILESCOc1cc(F)cc(CNC(=O)Nc2ccncc2F)c1
InChIInChI=1S/C14H13F2N3O2/c1-21-11-5-9(4-10(15)6-11)7-18-14(20)19-13-2-3-17-8-12(13)16/h2-6,8H,7H2,1H3,(H2,17,18,19,20)
InChIKeyNGGSQJFECZFVIY-UHFFFAOYSA-N
XLogP2.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
CID 23938828
N-(3-fluoro-4-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 75482660
1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 75439636
tert-butyl 2-[(3-fluoro-4-pyridinyl)carbamoylamino]acetate
CID 122141871
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea
CID 75522495
1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 23762285
1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 51579250
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea
CID 84593918
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea?
The IUPAC name of 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea (CID 91660536) is 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea.
What is the SMILES notation for 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea?
The canonical SMILES for 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea is COc1cc(F)cc(CNC(=O)Nc2ccncc2F)c1.
What is the InChIKey of 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea?
The InChIKey is NGGSQJFECZFVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-21-11-5-9(4-10(15)6-11)7-18-14(20)19-13-2-3-17-8-12(13)16/h2-6,8H,7H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea?
1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea has a molecular weight of 293.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea is sourced from PubChem (CID 91660536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).