1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea

C15H11ClF4N4O — CID 22156182

IUPAC1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea
SMILESNC(=O)N(c1nc2c(c(C(F)(F)F)n1)CCC2)c1c(F)cccc1Cl
InChIInChI=1S/C15H11ClF4N4O/c16-8-4-2-5-9(17)11(8)24(13(21)25)14-22-10-6-1-3-7(10)12(23-14)15(18,19)20/h2,4-5H,1,3,6H2,(H2,21,25)
InChIKeyVIKYTOXBENHSHN-UHFFFAOYSA-N
MW374.73 g/mol
LogP3.99
Rot. Bonds2

About 1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea

1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea (PubChem CID 22156182) has the molecular formula C15H11ClF4N4O and a molecular weight of 374.73 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea
PubChem CID22156182
Molecular FormulaC15H11ClF4N4O
Molecular Weight374.73 g/mol
Exact Mass374.06
IUPAC Name1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea
SMILESNC(=O)N(c1nc2c(c(C(F)(F)F)n1)CCC2)c1c(F)cccc1Cl
InChIInChI=1S/C15H11ClF4N4O/c16-8-4-2-5-9(17)11(8)24(13(21)25)14-22-10-6-1-3-7(10)12(23-14)15(18,19)20/h2,4-5H,1,3,6H2,(H2,21,25)
InChIKeyVIKYTOXBENHSHN-UHFFFAOYSA-N
XLogP3.99
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.73
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-6-nitrophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea
CID 22156144
1-[4-[chloro(difluoro)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1-(2-methyl-6-nitrophenyl)urea
CID 22156131
1-(5-fluoro-2-methylphenyl)-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]urea
CID 22156175
N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]benzamide
CID 71797102
pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone
CID 122558076
1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea
CID 58818107
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 29452933
1-phenothiazin-10-yl-2-[[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]sulfanyl]ethanone
CID 4026124
8-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CID 61357942
2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid
CID 170886771
1-thiophen-2-yl-3-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]urea
CID 71797155
3-(3-fluorophenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
CID 146618665

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea (CID 22156182) is 1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea is NC(=O)N(c1nc2c(c(C(F)(F)F)n1)CCC2)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea?
The InChIKey is VIKYTOXBENHSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4N4O/c16-8-4-2-5-9(17)11(8)24(13(21)25)14-22-10-6-1-3-7(10)12(23-14)15(18,19)20/h2,4-5H,1,3,6H2,(H2,21,25).
What are the key properties of 1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea?
1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea has a molecular weight of 374.73 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea is sourced from PubChem (CID 22156182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).