N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide

C15H17FN4O — CID 62660783

IUPACN-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(F)c2NN)cc1
InChIInChI=1S/C15H17FN4O/c1-20(2)11-8-6-10(7-9-11)18-15(21)12-4-3-5-13(16)14(12)19-17/h3-9,19H,17H2,1-2H3,(H,18,21)
InChIKeyATJKWZGZSSIIFB-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.43
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide

N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide (PubChem CID 62660783) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide
PubChem CID62660783
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(F)c2NN)cc1
InChIInChI=1S/C15H17FN4O/c1-20(2)11-8-6-10(7-9-11)18-15(21)12-4-3-5-13(16)14(12)19-17/h3-9,19H,17H2,1-2H3,(H,18,21)
InChIKeyATJKWZGZSSIIFB-UHFFFAOYSA-N
XLogP2.43
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660804
N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660094
3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106543999
N-(4-bromo-3,5-dimethylphenyl)-3-fluoro-2-hydrazinylbenzamide
CID 107578899
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide
CID 62661688
3-fluoro-2-hydrazinyl-N-pyridin-3-ylbenzamide
CID 62660800
3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide
CID 62648773
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605
N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 83114769
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide (CID 62660783) is N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide is CN(C)c1ccc(NC(=O)c2cccc(F)c2NN)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide?
The InChIKey is ATJKWZGZSSIIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-20(2)11-8-6-10(7-9-11)18-15(21)12-4-3-5-13(16)14(12)19-17/h3-9,19H,17H2,1-2H3,(H,18,21).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide?
N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide has a molecular weight of 288.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide is sourced from PubChem (CID 62660783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).