1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea

C15H14FN3O — CID 108906181

IUPAC1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(N/C=C/c1cccc(F)c1)NCc1ccccn1
InChIInChI=1S/C15H14FN3O/c16-13-5-3-4-12(10-13)7-9-18-15(20)19-11-14-6-1-2-8-17-14/h1-10H,11H2,(H2,18,19,20)/b9-7+
InChIKeyUMPZSJNVMHMVCS-VQHVLOKHSA-N
MW271.30 g/mol
LogP2.69
Rot. Bonds4

About 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea

1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 108906181) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID108906181
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(N/C=C/c1cccc(F)c1)NCc1ccccn1
InChIInChI=1S/C15H14FN3O/c16-13-5-3-4-12(10-13)7-9-18-15(20)19-11-14-6-1-2-8-17-14/h1-10H,11H2,(H2,18,19,20)/b9-7+
InChIKeyUMPZSJNVMHMVCS-VQHVLOKHSA-N
XLogP2.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea
CID 108907670
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea
CID 108906179
4-[[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]methyl]benzoic acid
CID 108906209
N'-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947561
1-[2-(diethylamino)ethyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906211
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-methoxypropyl)urea
CID 108906104
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
ethyl N-[2-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]ethyl]carbamate
CID 108906414
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903344
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108906051

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea (CID 108906181) is 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea is O=C(N/C=C/c1cccc(F)c1)NCc1ccccn1.
What is the InChIKey of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is UMPZSJNVMHMVCS-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-13-5-3-4-12(10-13)7-9-18-15(20)19-11-14-6-1-2-8-17-14/h1-10H,11H2,(H2,18,19,20)/b9-7+.
What are the key properties of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea?
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 271.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 108906181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).