CID 164868362

C13H14FN2O2Si — CID 164868362

IUPAC—
SMILESC[C@]1([Si])C[C@@H]2c3c(F)cc(C(=O)NO)cc3CN2C1
InChIInChI=1S/C13H14FN2O2Si/c1-13(19)4-10-11-8(5-16(10)6-13)2-7(3-9(11)14)12(17)15-18/h2-3,10,18H,4-6H2,1H3,(H,15,17)/t10-,13+/m1/s1
InChIKeyUUHRPTRXAMBBCT-MFKMUULPSA-N
MW277.35 g/mol
LogP1.55
Rot. Bonds1

About CID 164868362

CID 164868362 (PubChem CID 164868362) has the molecular formula C13H14FN2O2Si and a molecular weight of 277.35 g/mol.

Molecular Properties

Compound NameCID 164868362
PubChem CID164868362
Molecular FormulaC13H14FN2O2Si
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name—
SMILESC[C@]1([Si])C[C@@H]2c3c(F)cc(C(=O)NO)cc3CN2C1
InChIInChI=1S/C13H14FN2O2Si/c1-13(19)4-10-11-8(5-16(10)6-13)2-7(3-9(11)14)12(17)15-18/h2-3,10,18H,4-6H2,1H3,(H,15,17)/t10-,13+/m1/s1
InChIKeyUUHRPTRXAMBBCT-MFKMUULPSA-N
XLogP1.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,10bR)-10-fluoro-N-hydroxy-2-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide
CID 155598473
(10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide
CID 155598366
(2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide
CID 164868790
8-fluoro-N-hydroxy-2-(2-methyl-2-azaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868132
2-(2-cyclopropyl-2-azaspiro[3.5]nonan-7-yl)-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868826
2-cyclobutyl-5-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164868725
(11aS)-10-fluoro-N-hydroxy-11a-methyl-1,2,3,4,6,11-hexahydrobenzo[b]quinolizine-8-carboxamide
CID 164868822
2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)methyl]-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 155598384
8-fluoro-N-hydroxy-2-[(6S)-2-oxaspiro[3.4]octan-6-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164867950
8-fluoro-N-hydroxy-2-[(8S)-spiro[3.5]nonan-8-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 171594598
(11aR)-7-fluoro-N-hydroxy-11a-methyl-3,4,6,11-tetrahydro-1H-[1,4]oxazino[4,3-b]isoquinoline-9-carboxamide
CID 164868746
(3R)-3-ethyl-5-fluoro-N-hydroxy-2-[(6S)-2-methyl-2-azaspiro[3.4]octan-6-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164868536

Frequently Asked Questions

What is the IUPAC name of CID 164868362?
The IUPAC name of CID 164868362 (CID 164868362) is not available.
What is the SMILES notation for CID 164868362?
The canonical SMILES for CID 164868362 is C[C@]1([Si])C[C@@H]2c3c(F)cc(C(=O)NO)cc3CN2C1.
What is the InChIKey of CID 164868362?
The InChIKey is UUHRPTRXAMBBCT-MFKMUULPSA-N. The full InChI is InChI=1S/C13H14FN2O2Si/c1-13(19)4-10-11-8(5-16(10)6-13)2-7(3-9(11)14)12(17)15-18/h2-3,10,18H,4-6H2,1H3,(H,15,17)/t10-,13+/m1/s1.
What are the key properties of CID 164868362?
CID 164868362 has a molecular weight of 277.35 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164868362 is sourced from PubChem (CID 164868362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).