N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide

C14H12ClF2N3O — CID 66255840

IUPACN-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESCc1cccc(Cl)c1NC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C14H12ClF2N3O/c1-7-3-2-4-9(15)12(7)19-14(21)8-5-10(16)13(20-18)11(17)6-8/h2-6,20H,18H2,1H3,(H,19,21)
InChIKeySIHZBDMCFAPUCX-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.46
Rot. Bonds3

About N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide

N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide (PubChem CID 66255840) has the molecular formula C14H12ClF2N3O and a molecular weight of 311.72 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
PubChem CID66255840
Molecular FormulaC14H12ClF2N3O
Molecular Weight311.72 g/mol
Exact Mass311.06
IUPAC NameN-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESCc1cccc(Cl)c1NC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C14H12ClF2N3O/c1-7-3-2-4-9(15)12(7)19-14(21)8-5-10(16)13(20-18)11(17)6-8/h2-6,20H,18H2,1H3,(H,19,21)
InChIKeySIHZBDMCFAPUCX-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'}

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Related Compounds

N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 65499076
N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107031792
3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide
CID 63186781
N-(3-chloro-4-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186135
N-(2-bromo-3-chlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 103481479
5-chloro-N-(2-chloro-6-methylphenyl)-2-fluorobenzamide
CID 66254946
2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide
CID 66251998
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
CID 66254685
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 66254574
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 113219145

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide (CID 66255840) is N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide is Cc1cccc(Cl)c1NC(=O)c1cc(F)c(NN)c(F)c1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide?
The InChIKey is SIHZBDMCFAPUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N3O/c1-7-3-2-4-9(15)12(7)19-14(21)8-5-10(16)13(20-18)11(17)6-8/h2-6,20H,18H2,1H3,(H,19,21).
What are the key properties of N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide?
N-(2-chloro-6-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-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide is sourced from PubChem (CID 66255840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).