5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide

C17H19ClN2O2 — CID 9182352

IUPAC5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide
SMILESCCN(NC(=O)c1cc(Cl)ccc1OC)c1ccc(C)cc1
InChIInChI=1S/C17H19ClN2O2/c1-4-20(14-8-5-12(2)6-9-14)19-17(21)15-11-13(18)7-10-16(15)22-3/h5-11H,4H2,1-3H3,(H,19,21)
InChIKeyIHJWQDCRYKFLOH-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.83
Rot. Bonds5

About 5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide

5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide (PubChem CID 9182352) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide.

Molecular Properties

Compound Name5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide
PubChem CID9182352
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide
SMILESCCN(NC(=O)c1cc(Cl)ccc1OC)c1ccc(C)cc1
InChIInChI=1S/C17H19ClN2O2/c1-4-20(14-8-5-12(2)6-9-14)19-17(21)15-11-13(18)7-10-16(15)22-3/h5-11H,4H2,1-3H3,(H,19,21)
InChIKeyIHJWQDCRYKFLOH-UHFFFAOYSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.83
H-Bond Donors ≤ 51
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'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide
CID 9092755
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 108572238
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
5-chloro-N'-(3,5-dimethylbenzoyl)-2-methoxybenzohydrazide
CID 2469214
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 8503683
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide?
The IUPAC name of 5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide (CID 9182352) is 5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide.
What is the SMILES notation for 5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide?
The canonical SMILES for 5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide is CCN(NC(=O)c1cc(Cl)ccc1OC)c1ccc(C)cc1.
What is the InChIKey of 5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide?
The InChIKey is IHJWQDCRYKFLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-4-20(14-8-5-12(2)6-9-14)19-17(21)15-11-13(18)7-10-16(15)22-3/h5-11H,4H2,1-3H3,(H,19,21).
What are the key properties of 5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide?
5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide has a molecular weight of 318.80 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-ethyl-2-methoxy-N'-(4-methylphenyl)benzohydrazide is sourced from PubChem (CID 9182352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).