2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide

C16H14ClN3O5 — CID 3526771

IUPAC2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H14ClN3O5/c1-10-4-2-3-5-14(10)25-9-15(21)18-19-16(22)12-7-6-11(20(23)24)8-13(12)17/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyZACOORPGDDFNCQ-UHFFFAOYSA-N
MW363.76 g/mol
LogP2.40
Rot. Bonds5

About 2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide

2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide (PubChem CID 3526771) has the molecular formula C16H14ClN3O5 and a molecular weight of 363.76 g/mol. Its IUPAC name is 2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide
PubChem CID3526771
Molecular FormulaC16H14ClN3O5
Molecular Weight363.76 g/mol
Exact Mass363.06
IUPAC Name2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H14ClN3O5/c1-10-4-2-3-5-14(10)25-9-15(21)18-19-16(22)12-7-6-11(20(23)24)8-13(12)17/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyZACOORPGDDFNCQ-UHFFFAOYSA-N
XLogP2.40
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N,N-diethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2478232
2,4-dimethyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26247019
2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909280
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
1-chloro-2-[(2-methylphenoxy)methyl]-4-nitrobenzene
CID 43169195
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide
CID 63372813
1-(2-chlorophenyl)-2-(2-methyl-4-nitrophenoxy)ethanone
CID 115766252
2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 9470051
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide
CID 24531978
4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide
CID 9157370
4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2594382
2-chloro-N-(3-methyl-2-pyridinyl)-4-nitrobenzamide
CID 3273580

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide (CID 3526771) is 2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide is Cc1ccccc1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide?
The InChIKey is ZACOORPGDDFNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5/c1-10-4-2-3-5-14(10)25-9-15(21)18-19-16(22)12-7-6-11(20(23)24)8-13(12)17/h2-8H,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide?
2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide has a molecular weight of 363.76 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(2-methylphenoxy)acetyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 3526771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).