N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide

C17H17F2N3O3 — CID 27605742

IUPACN'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H17F2N3O3/c1-22(2)13-5-3-4-12(10-13)16(24)21-20-15(23)11-6-8-14(9-7-11)25-17(18)19/h3-10,17H,1-2H3,(H,20,23)(H,21,24)
InChIKeyQIHJIPOOAKFOQD-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.43
Rot. Bonds5

About N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide

N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide (PubChem CID 27605742) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide.

Molecular Properties

Compound NameN'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide
PubChem CID27605742
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC NameN'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H17F2N3O3/c1-22(2)13-5-3-4-12(10-13)16(24)21-20-15(23)11-6-8-14(9-7-11)25-17(18)19/h3-10,17H,1-2H3,(H,20,23)(H,21,24)
InChIKeyQIHJIPOOAKFOQD-UHFFFAOYSA-N
XLogP2.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 26184740
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187379
N'-(4-bromobenzoyl)-3-(difluoromethoxy)benzohydrazide
CID 7945561
N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide
CID 78779270
3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
CID 78779693
N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 43002109
N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide
CID 26831201
3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 26184762
N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 35768566
3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 38796379
3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
CID 30485788

Frequently Asked Questions

What is the IUPAC name of N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide?
The IUPAC name of N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide (CID 27605742) is N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide.
What is the SMILES notation for N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide?
The canonical SMILES for N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide is CN(C)c1cccc(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide?
The InChIKey is QIHJIPOOAKFOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-22(2)13-5-3-4-12(10-13)16(24)21-20-15(23)11-6-8-14(9-7-11)25-17(18)19/h3-10,17H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide?
N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide has a molecular weight of 349.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide is sourced from PubChem (CID 27605742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).