N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide

C15H16FN3O — CID 63211664

IUPACN-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)c2cccc(F)c2)ccc1NN
InChIInChI=1S/C15H16FN3O/c1-10-8-11(6-7-14(10)18-17)15(20)19(2)13-5-3-4-12(16)9-13/h3-9,18H,17H2,1-2H3
InChIKeyDCEJBHDTGMHXHJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.70
Rot. Bonds3

About N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide

N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide (PubChem CID 63211664) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide
PubChem CID63211664
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)c2cccc(F)c2)ccc1NN
InChIInChI=1S/C15H16FN3O/c1-10-8-11(6-7-14(10)18-17)15(20)19(2)13-5-3-4-12(16)9-13/h3-9,18H,17H2,1-2H3
InChIKeyDCEJBHDTGMHXHJ-UHFFFAOYSA-N
XLogP2.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
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,N,3-trimethylbenzamide
CID 63211691
3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
CID 18545673
N-[3-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209459
3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932851
N-(3-fluorophenyl)-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248954
4-hydroxy-N-(3-hydroxyphenyl)-N,3-dimethylbenzamide
CID 107735629
2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide
CID 113378414
3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 82776222
N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
CID 63213412
2-fluoro-N-(3-fluorophenyl)-6-hydroxy-N-methylbenzamide
CID 104918220
(4-fluoro-2-methylphenyl)hydrazine;hydrochloride
CID 47002129
N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209286

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide?
The IUPAC name of N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide (CID 63211664) is N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide is Cc1cc(C(=O)N(C)c2cccc(F)c2)ccc1NN.
What is the InChIKey of N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide?
The InChIKey is DCEJBHDTGMHXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-8-11(6-7-14(10)18-17)15(20)19(2)13-5-3-4-12(16)9-13/h3-9,18H,17H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide?
N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide has a molecular weight of 273.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide is sourced from PubChem (CID 63211664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).