1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea

C16H14ClF3N4O — CID 10317091

IUPAC1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)NC1CN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H14ClF3N4O/c17-10-3-1-4-11(7-10)21-15(25)22-12-8-24(9-12)14-6-2-5-13(23-14)16(18,19)20/h1-7,12H,8-9H2,(H2,21,22,25)
InChIKeyXBGZMPVKSBWJSD-UHFFFAOYSA-N
MW370.76 g/mol
LogP3.76
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea

1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea (PubChem CID 10317091) has the molecular formula C16H14ClF3N4O and a molecular weight of 370.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea
PubChem CID10317091
Molecular FormulaC16H14ClF3N4O
Molecular Weight370.76 g/mol
Exact Mass370.08
IUPAC Name1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)NC1CN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H14ClF3N4O/c17-10-3-1-4-11(7-10)21-15(25)22-12-8-24(9-12)14-6-2-5-13(23-14)16(18,19)20/h1-7,12H,8-9H2,(H2,21,22,25)
InChIKeyXBGZMPVKSBWJSD-UHFFFAOYSA-N
XLogP3.76
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 73671362
1-(2-chlorophenyl)-4-((cyclopropyl-methypamino)-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 148514727
1-(2-chlorophenyl)-4-[(2,2,2-trifluoro-ethyl)amino]-7-(trifluoro-methyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608432
1-(2-chlorophenyl)-4-[(methylethyl)-amino]-7-(trifluoromethyl)pyrido[2,3-d]-pyrimidin-2(1H)-one
CID 153608484
1-(2-chlorophenyl)-4-(cyclobutylamino)-7-(trifluoromethyl)pyrido[2,3-d]-pyrimidin-2(1H)-one
CID 153608578
1-(2-chlorophenyl)-4-(((1S,2R)-2-fluorocyclopropyl)amino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one, single unknown enantiomer
CID 153608732
US11084798, Cpd No 771
CID 153608768
3-((1-(2-Chlorophenyl)-2-oxo-7-(trifluoro-methyl)-1,2-dihydropyrido-[2,3-d]pyrimidin-4-yl)amino)-propanenitrile
CID 153608857
1-(2-chlorophenyl)-4-(cyclopropyl-amino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608939
1-(2-chlorophenyl)-4-[(2,2-difluoro-ethyl)amino]-7-(trifluoromethyl)-pyrido[2,3-d]-pyrimidin-2(1H)-one
CID 156514198
1-(2-chlorophenyl)-4-(3-fluoroazetidin-1-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 156514203
1-(2-chlorophenyl)-4-(((1R,2S)-2-fluorocyclopropyl)amino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one, single unknown enantiomer
CID 156541989

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea (CID 10317091) is 1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea is O=C(Nc1cccc(Cl)c1)NC1CN(c2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea?
The InChIKey is XBGZMPVKSBWJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O/c17-10-3-1-4-11(7-10)21-15(25)22-12-8-24(9-12)14-6-2-5-13(23-14)16(18,19)20/h1-7,12H,8-9H2,(H2,21,22,25).
What are the key properties of 1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea?
1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea has a molecular weight of 370.76 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea is sourced from PubChem (CID 10317091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).