5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide

C13H15ClF2N2O3 — CID 166235169

IUPAC5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide
SMILESCC(F)(F)C(C)(C)C(=O)NNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H15ClF2N2O3/c1-12(2,13(3,15)16)11(21)18-17-10(20)8-6-7(14)4-5-9(8)19/h4-6,19H,1-3H3,(H,17,20)(H,18,21)
InChIKeyXZOYMTNMTQGRPN-UHFFFAOYSA-N
MW320.72 g/mol
LogP2.49
Rot. Bonds3

About 5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide

5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide (PubChem CID 166235169) has the molecular formula C13H15ClF2N2O3 and a molecular weight of 320.72 g/mol. Its IUPAC name is 5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide
PubChem CID166235169
Molecular FormulaC13H15ClF2N2O3
Molecular Weight320.72 g/mol
Exact Mass320.07
IUPAC Name5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide
SMILESCC(F)(F)C(C)(C)C(=O)NNC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H15ClF2N2O3/c1-12(2,13(3,15)16)11(21)18-17-10(20)8-6-7(14)4-5-9(8)19/h4-6,19H,1-3H3,(H,17,20)(H,18,21)
InChIKeyXZOYMTNMTQGRPN-UHFFFAOYSA-N
XLogP2.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.72
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[4-(2,2-dimethylpropanoylamino)phenyl]-2-hydroxybenzamide
CID 1203722
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CID 130240285
5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-hydroxybenzamide
CID 155523213
5-chloro-2-hydroxy-N'-[2-[2-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55628971
1-[(5-chloro-2-hydroxybenzoyl)amino]-3-(4-fluorophenyl)thiourea
CID 9096936
2,3,4,5-tetrabromo-6-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]benzoic acid
CID 3327160
5-chloro-2-hydroxy-N'-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
CID 134009998
5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603991
5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide
CID 55902498
N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide
CID 114208009
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866
5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812024

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide?
The IUPAC name of 5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide (CID 166235169) is 5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide.
What is the SMILES notation for 5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide?
The canonical SMILES for 5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide is CC(F)(F)C(C)(C)C(=O)NNC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide?
The InChIKey is XZOYMTNMTQGRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O3/c1-12(2,13(3,15)16)11(21)18-17-10(20)8-6-7(14)4-5-9(8)19/h4-6,19H,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide?
5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide has a molecular weight of 320.72 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide is sourced from PubChem (CID 166235169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).