N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide

C18H18N2O2 — CID 43823245

IUPACN-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESC/C(=N\O)c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H18N2O2/c1-12(20-22)14-5-3-7-17(11-14)19-18(21)16-9-8-13-4-2-6-15(13)10-16/h3,5,7-11,22H,2,4,6H2,1H3,(H,19,21)/b20-12+
InChIKeyCUUUNYQBONNHGM-UDWIEESQSA-N
MW294.35 g/mol
LogP3.63
Rot. Bonds3

About N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 43823245) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID43823245
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESC/C(=N\O)c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H18N2O2/c1-12(20-22)14-5-3-7-17(11-14)19-18(21)16-9-8-13-4-2-6-15(13)10-16/h3,5,7-11,22H,2,4,6H2,1H3,(H,19,21)/b20-12+
InChIKeyCUUUNYQBONNHGM-UDWIEESQSA-N
XLogP3.63
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
3,4-dihydroxy-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107728450
ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 9228157
N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9402797
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704037
3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 82876177
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-nitrobenzamide
CID 24705666
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
CID 24704616
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 43823245) is N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide is C/C(=N\O)c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is CUUUNYQBONNHGM-UDWIEESQSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(20-22)14-5-3-7-17(11-14)19-18(21)16-9-8-13-4-2-6-15(13)10-16/h3,5,7-11,22H,2,4,6H2,1H3,(H,19,21)/b20-12+.
What are the key properties of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 43823245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).