N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide

C13H11ClFN3O — CID 62241320

IUPACN-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide
SMILESNNc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C13H11ClFN3O/c14-9-3-6-12(11(15)7-9)17-13(19)8-1-4-10(18-16)5-2-8/h1-7,18H,16H2,(H,17,19)
InChIKeyYYGSSEIJKFNVCT-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.02
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide

N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide (PubChem CID 62241320) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide
PubChem CID62241320
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide
SMILESNNc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C13H11ClFN3O/c14-9-3-6-12(11(15)7-9)17-13(19)8-1-4-10(18-16)5-2-8/h1-7,18H,16H2,(H,17,19)
InChIKeyYYGSSEIJKFNVCT-UHFFFAOYSA-N
XLogP3.02
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide
CID 62237967
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide
CID 61111533
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118
N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide
CID 26696432
3-amino-N-(4-chloro-2-fluorophenyl)benzamide
CID 43708013
N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 7774576
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64787655

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide (CID 62241320) is N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide is NNc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide?
The InChIKey is YYGSSEIJKFNVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-9-3-6-12(11(15)7-9)17-13(19)8-1-4-10(18-16)5-2-8/h1-7,18H,16H2,(H,17,19).
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide?
N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide has a molecular weight of 279.70 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide is sourced from PubChem (CID 62241320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).