N-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide

C19H16FNO2 — CID 175556672

IUPACN-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide
SMILESO=C(c1ccccc1)N(O)C1(F)CC=CC=C1c1ccccc1
InChIInChI=1S/C19H16FNO2/c20-19(21(23)18(22)16-11-5-2-6-12-16)14-8-7-13-17(19)15-9-3-1-4-10-15/h1-13,23H,14H2
InChIKeyJVMSLJJTNNBDFB-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.23
Rot. Bonds3

About N-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide

N-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide (PubChem CID 175556672) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is N-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide
PubChem CID175556672
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC NameN-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide
SMILESO=C(c1ccccc1)N(O)C1(F)CC=CC=C1c1ccccc1
InChIInChI=1S/C19H16FNO2/c20-19(21(23)18(22)16-11-5-2-6-12-16)14-8-7-13-17(19)15-9-3-1-4-10-15/h1-13,23H,14H2
InChIKeyJVMSLJJTNNBDFB-UHFFFAOYSA-N
XLogP4.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-1-[(phenylcarbamoylamino)methyl]cyclohexa-2,4-diene-1-carboxylic acid
CID 174397043
1-iodo-2-phenylcyclohexa-2,4-dien-1-amine
CID 175287153
1-(methylamino)-2-phenylcyclohexa-2,4-dien-1-ol
CID 175545397
2-(1-hydroxy-2-phenylcyclohexa-2,4-dien-1-yl)phenol
CID 70208336
1-methyl-2-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 71317478
2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol
CID 175574219
6,6-diisocyanato-1-phenylcyclohexa-1,3-diene
CID 87061261
1,2-diphenylcyclohexa-2,4-dien-1-amine
CID 141027674
ethyl (1-hydroxy-2-phenylcyclohexa-2,4-dien-1-yl) carbonate
CID 174779093
(1-fluorocyclopropyl)-phenylmethanone
CID 18983537
(1-methoxy-2-phenylcyclohexa-2,4-dien-1-yl)boronic acid
CID 68649281
1,4,4-trifluoro-2-phenylcyclobut-2-ene-1-carboxylic acid
CID 12635516

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide?
The IUPAC name of N-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide (CID 175556672) is N-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide.
What is the SMILES notation for N-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide?
The canonical SMILES for N-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide is O=C(c1ccccc1)N(O)C1(F)CC=CC=C1c1ccccc1.
What is the InChIKey of N-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide?
The InChIKey is JVMSLJJTNNBDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c20-19(21(23)18(22)16-11-5-2-6-12-16)14-8-7-13-17(19)15-9-3-1-4-10-15/h1-13,23H,14H2.
What are the key properties of N-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide?
N-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide has a molecular weight of 309.34 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-phenylcyclohexa-2,4-dien-1-yl)-N-hydroxybenzamide is sourced from PubChem (CID 175556672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).