trans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide

C25H22F5N3O4 — CID 87907465

IUPACtrans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide
SMILESCc1cc(COc2ccc(N(C(=O)C(F)(F)F)[C@@H]3CC(F)(F)C[C@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C25H22F5N3O4/c1-14-10-15(18-4-2-3-5-20(18)31-14)13-37-17-8-6-16(7-9-17)33(23(35)25(28,29)30)21-12-24(26,27)11-19(21)22(34)32-36/h2-10,19,21,36H,11-13H2,1H3,(H,32,34)/t19-,21-/m1/s1
InChIKeyRBALEUGBHWAUFJ-TZIWHRDSSA-N
MW523.46 g/mol
LogP4.94
Rot. Bonds6

About trans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide

trans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide (PubChem CID 87907465) has the molecular formula C25H22F5N3O4 and a molecular weight of 523.46 g/mol. Its IUPAC name is trans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide
PubChem CID87907465
Molecular FormulaC25H22F5N3O4
Molecular Weight523.46 g/mol
Exact Mass523.15
IUPAC Nametrans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide
SMILESCc1cc(COc2ccc(N(C(=O)C(F)(F)F)[C@@H]3CC(F)(F)C[C@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C25H22F5N3O4/c1-14-10-15(18-4-2-3-5-20(18)31-14)13-37-17-8-6-16(7-9-17)33(23(35)25(28,29)30)21-12-24(26,27)11-19(21)22(34)32-36/h2-10,19,21,36H,11-13H2,1H3,(H,32,34)/t19-,21-/m1/s1
InChIKeyRBALEUGBHWAUFJ-TZIWHRDSSA-N
XLogP4.94
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.46
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide (CID 87907465) is trans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide is Cc1cc(COc2ccc(N(C(=O)C(F)(F)F)[C@@H]3CC(F)(F)C[C@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of trans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide?
The InChIKey is RBALEUGBHWAUFJ-TZIWHRDSSA-N. The full InChI is InChI=1S/C25H22F5N3O4/c1-14-10-15(18-4-2-3-5-20(18)31-14)13-37-17-8-6-16(7-9-17)33(23(35)25(28,29)30)21-12-24(26,27)11-19(21)22(34)32-36/h2-10,19,21,36H,11-13H2,1H3,(H,32,34)/t19-,21-/m1/s1.
What are the key properties of trans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide?
trans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide has a molecular weight of 523.46 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4,4-difluoro-N-hydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]-N-(2,2,2-trifluoroacetyl)anilino]cyclopentane-1-carboxamide is sourced from PubChem (CID 87907465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).