N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide

C14H12ClF2N3O — CID 63186135

IUPACN-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESCc1ccc(NC(=O)c2cc(F)c(NN)c(F)c2)cc1Cl
InChIInChI=1S/C14H12ClF2N3O/c1-7-2-3-9(6-10(7)15)19-14(21)8-4-11(16)13(20-18)12(17)5-8/h2-6,20H,18H2,1H3,(H,19,21)
InChIKeySPNGKTFEOAEESX-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.46
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide

N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide (PubChem CID 63186135) has the molecular formula C14H12ClF2N3O and a molecular weight of 311.72 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
PubChem CID63186135
Molecular FormulaC14H12ClF2N3O
Molecular Weight311.72 g/mol
Exact Mass311.06
IUPAC NameN-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESCc1ccc(NC(=O)c2cc(F)c(NN)c(F)c2)cc1Cl
InChIInChI=1S/C14H12ClF2N3O/c1-7-2-3-9(6-10(7)15)19-14(21)8-4-11(16)13(20-18)12(17)5-8/h2-6,20H,18H2,1H3,(H,19,21)
InChIKeySPNGKTFEOAEESX-UHFFFAOYSA-N
XLogP3.46
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 53.46
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'}

Analyze N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63185694
N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 66255840
N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 65499076
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
3,5-difluoro-N-(3-fluorophenyl)-4-hydrazinylbenzamide
CID 63186687
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 63211979
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
3,5-difluoro-4-hydrazinyl-N-(3-methylsulfanylphenyl)benzamide
CID 63186134
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-(3-bromophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186774

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide (CID 63186135) is N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide is Cc1ccc(NC(=O)c2cc(F)c(NN)c(F)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The InChIKey is SPNGKTFEOAEESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N3O/c1-7-2-3-9(6-10(7)15)19-14(21)8-4-11(16)13(20-18)12(17)5-8/h2-6,20H,18H2,1H3,(H,19,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide?
N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide has a molecular weight of 311.72 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide is sourced from PubChem (CID 63186135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).