1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea

C15H14ClF2N3O2 — CID 71868680

IUPAC1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C15H14ClF2N3O2/c16-12-3-4-13(23-14(17)18)11(6-12)9-21-15(22)20-8-10-2-1-5-19-7-10/h1-7,14H,8-9H2,(H2,20,21,22)
InChIKeyRSTHBHRXZKDWAG-UHFFFAOYSA-N
MW341.75 g/mol
LogP3.34
Rot. Bonds6

About 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea

1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 71868680) has the molecular formula C15H14ClF2N3O2 and a molecular weight of 341.75 g/mol. Its IUPAC name is 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID71868680
Molecular FormulaC15H14ClF2N3O2
Molecular Weight341.75 g/mol
Exact Mass341.07
IUPAC Name1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C15H14ClF2N3O2/c16-12-3-4-13(23-14(17)18)11(6-12)9-21-15(22)20-8-10-2-1-5-19-7-10/h1-7,14H,8-9H2,(H2,20,21,22)
InChIKeyRSTHBHRXZKDWAG-UHFFFAOYSA-N
XLogP3.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 36873297
4-[[5-chloro-2-(difluoromethoxy)phenyl]methylcarbamoylamino]butanoic acid
CID 122004669
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059
1-(4-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125736
3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 119127097
2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 17054003
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 4050389
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936471
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111708690
1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea
CID 110775324

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea (CID 71868680) is 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)NCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is RSTHBHRXZKDWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N3O2/c16-12-3-4-13(23-14(17)18)11(6-12)9-21-15(22)20-8-10-2-1-5-19-7-10/h1-7,14H,8-9H2,(H2,20,21,22).
What are the key properties of 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 341.75 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 71868680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).