N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide

C16H13FN2O — CID 9016757

IUPACN-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide
SMILESO=C(NN=C1Cc2ccccc2C1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c17-14-7-5-11(6-8-14)16(20)19-18-15-9-12-3-1-2-4-13(12)10-15/h1-8H,9-10H2,(H,19,20)
InChIKeySMPQROUALRAKTG-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.71
Rot. Bonds2

About N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide

N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide (PubChem CID 9016757) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide
PubChem CID9016757
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC NameN-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide
SMILESO=C(NN=C1Cc2ccccc2C1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c17-14-7-5-11(6-8-14)16(20)19-18-15-9-12-3-1-2-4-13(12)10-15/h1-8H,9-10H2,(H,19,20)
InChIKeySMPQROUALRAKTG-UHFFFAOYSA-N
XLogP2.71
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]benzamide
CID 9410916
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
CID 6255931
N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9410613
N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide
CID 4923007
1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea
CID 5467984
1-(1,3-dihydroinden-2-ylideneamino)-3-[(4-fluorophenyl)methyl]thiourea
CID 8870866
1-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(4-fluorophenyl)thiourea
CID 9410649
N-(1,3-dihydroinden-2-ylideneamino)-2-(2-fluorophenoxy)acetamide
CID 9317079
4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoic acid
CID 9013359
4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide
CID 9410831
4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5165870
N-(cyclododecylideneamino)benzamide
CID 4147051

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide?
The IUPAC name of N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide (CID 9016757) is N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide.
What is the SMILES notation for N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide?
The canonical SMILES for N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide is O=C(NN=C1Cc2ccccc2C1)c1ccc(F)cc1.
What is the InChIKey of N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide?
The InChIKey is SMPQROUALRAKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-7-5-11(6-8-14)16(20)19-18-15-9-12-3-1-2-4-13(12)10-15/h1-8H,9-10H2,(H,19,20).
What are the key properties of N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide?
N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide has a molecular weight of 268.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide is sourced from PubChem (CID 9016757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).