N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide

C16H14ClN3O5 — CID 4932160

IUPACN'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide
SMILESCC(Oc1ccccc1Cl)C(=O)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14ClN3O5/c1-10(25-14-9-5-3-7-12(14)17)15(21)18-19-16(22)11-6-2-4-8-13(11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)
InChIKeyCRHKXAAVNHDPML-UHFFFAOYSA-N
MW363.76 g/mol
LogP2.48
Rot. Bonds5

About N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide

N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide (PubChem CID 4932160) has the molecular formula C16H14ClN3O5 and a molecular weight of 363.76 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide
PubChem CID4932160
Molecular FormulaC16H14ClN3O5
Molecular Weight363.76 g/mol
Exact Mass363.06
IUPAC NameN'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide
SMILESCC(Oc1ccccc1Cl)C(=O)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14ClN3O5/c1-10(25-14-9-5-3-7-12(14)17)15(21)18-19-16(22)11-6-2-4-8-13(11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)
InChIKeyCRHKXAAVNHDPML-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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

2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944143
N'-[2-(2-fluorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 43003717
2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 9206008
N'-[2-(2,6-dimethylphenoxy)propanoyl]-2-nitrobenzohydrazide
CID 4958662
N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-2-nitrobenzohydrazide
CID 9297820
N'-[2-(2-chlorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 4932285
N'-[2-(2-chlorophenoxy)propanoyl]-2-prop-2-enoxybenzohydrazide
CID 4932333
N'-(2-bromopropanoyl)-2-nitrobenzohydrazide
CID 3809128
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944277
N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 42579619
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide (CID 4932160) is N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide is CC(Oc1ccccc1Cl)C(=O)NNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide?
The InChIKey is CRHKXAAVNHDPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5/c1-10(25-14-9-5-3-7-12(14)17)15(21)18-19-16(22)11-6-2-4-8-13(11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide?
N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide has a molecular weight of 363.76 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide is sourced from PubChem (CID 4932160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).