6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide

C16H13F4N3O2 — CID 118559857

IUPAC6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide
SMILESCc1c(F)cccc1C1(C(=O)NO)Cc2cnc(C(F)(F)F)nc2C1
InChIInChI=1S/C16H13F4N3O2/c1-8-10(3-2-4-11(8)17)15(14(24)23-25)5-9-7-21-13(16(18,19)20)22-12(9)6-15/h2-4,7,25H,5-6H2,1H3,(H,23,24)
InChIKeyLBVKFVHDLYUGFI-UHFFFAOYSA-N
MW355.29 g/mol
LogP2.48
Rot. Bonds2

About 6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide

6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide (PubChem CID 118559857) has the molecular formula C16H13F4N3O2 and a molecular weight of 355.29 g/mol. Its IUPAC name is 6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide
PubChem CID118559857
Molecular FormulaC16H13F4N3O2
Molecular Weight355.29 g/mol
Exact Mass355.09
IUPAC Name6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide
SMILESCc1c(F)cccc1C1(C(=O)NO)Cc2cnc(C(F)(F)F)nc2C1
InChIInChI=1S/C16H13F4N3O2/c1-8-10(3-2-4-11(8)17)15(14(24)23-25)5-9-7-21-13(16(18,19)20)22-12(9)6-15/h2-4,7,25H,5-6H2,1H3,(H,23,24)
InChIKeyLBVKFVHDLYUGFI-UHFFFAOYSA-N
XLogP2.48
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(4-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559976
5-(3-fluoro-2-methylphenyl)-2-(3-fluoro-2-pyridinyl)-N-hydroxy-4,6-dihydrocyclopenta[c]pyrazole-5-carboxamide
CID 118560052
1-(2-fluoro-6-methylphenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559865
5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(3-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559969
5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559901
1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118560026
5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
CID 129012803
(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide
CID 118569847
methyl 2-cyclopropyl-7-(3-fluoro-2-methylphenyl)-5,6,8,9-tetrahydrocyclohepta[d]pyrimidine-7-carboxylate
CID 118559921
1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyridin-3-ylcyclopentane-1-carboxamide
CID 86273207
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-3-(5-fluoro-3-pyridinyl)-N-hydroxycyclopentane-1-carboxamide
CID 86273456
trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 86272515

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide?
The IUPAC name of 6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide (CID 118559857) is 6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide.
What is the SMILES notation for 6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide?
The canonical SMILES for 6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide is Cc1c(F)cccc1C1(C(=O)NO)Cc2cnc(C(F)(F)F)nc2C1.
What is the InChIKey of 6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide?
The InChIKey is LBVKFVHDLYUGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N3O2/c1-8-10(3-2-4-11(8)17)15(14(24)23-25)5-9-7-21-13(16(18,19)20)22-12(9)6-15/h2-4,7,25H,5-6H2,1H3,(H,23,24).
What are the key properties of 6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide?
6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide has a molecular weight of 355.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118559857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).