N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide

C17H17ClN2O2 — CID 78784923

IUPACN'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C17H17ClN2O2/c1-11-3-6-14(9-12(11)2)17(22)20-19-16(21)10-13-4-7-15(18)8-5-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKCYIITTZFFSOJD-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.96
Rot. Bonds3

About N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide

N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide (PubChem CID 78784923) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide
PubChem CID78784923
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C17H17ClN2O2/c1-11-3-6-14(9-12(11)2)17(22)20-19-16(21)10-13-4-7-15(18)8-5-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKCYIITTZFFSOJD-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 34572785
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936804
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991
5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide
CID 26657357
N'-[2-(4-chlorophenyl)acetyl]-6-methylpyridine-3-carbohydrazide
CID 31117850
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 31727289
N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 26657660
N'-(2-chloroacetyl)-2-(4-chlorophenyl)acetohydrazide
CID 82121554
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351923
N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide
CID 31727117

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide (CID 78784923) is N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide?
The InChIKey is KCYIITTZFFSOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-3-6-14(9-12(11)2)17(22)20-19-16(21)10-13-4-7-15(18)8-5-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide has a molecular weight of 316.79 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide is sourced from PubChem (CID 78784923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).