N'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide

C16H16ClN3O2 — CID 2803312

IUPACN'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide
SMILESCN(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN3O2/c1-20(2)14-9-5-12(6-10-14)16(22)19-18-15(21)11-3-7-13(17)8-4-11/h3-10H,1-2H3,(H,18,21)(H,19,22)
InChIKeyWKECCAYUGXRFSS-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.48
Rot. Bonds3

About N'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide

N'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide (PubChem CID 2803312) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide
PubChem CID2803312
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide
SMILESCN(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN3O2/c1-20(2)14-9-5-12(6-10-14)16(22)19-18-15(21)11-3-7-13(17)8-4-11/h3-10H,1-2H3,(H,18,21)(H,19,22)
InChIKeyWKECCAYUGXRFSS-UHFFFAOYSA-N
XLogP2.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide (CID 2803312) is N'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide is CN(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide?
The InChIKey is WKECCAYUGXRFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-20(2)14-9-5-12(6-10-14)16(22)19-18-15(21)11-3-7-13(17)8-4-11/h3-10H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide?
N'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide has a molecular weight of 317.78 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-4-(dimethylamino)benzohydrazide is sourced from PubChem (CID 2803312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).