4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide

C17H14Cl3N3O5 — CID 3382871

IUPAC4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H14Cl3N3O5/c18-11-4-6-15(13(20)9-11)28-7-1-2-16(24)21-22-17(25)10-3-5-12(19)14(8-10)23(26)27/h3-6,8-9H,1-2,7H2,(H,21,24)(H,22,25)
InChIKeyXQBXPFQZEDOTQE-UHFFFAOYSA-N
MW446.67 g/mol
LogP4.18
Rot. Bonds7

About 4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide

4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide (PubChem CID 3382871) has the molecular formula C17H14Cl3N3O5 and a molecular weight of 446.67 g/mol. Its IUPAC name is 4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide
PubChem CID3382871
Molecular FormulaC17H14Cl3N3O5
Molecular Weight446.67 g/mol
Exact Mass445.00
IUPAC Name4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H14Cl3N3O5/c18-11-4-6-15(13(20)9-11)28-7-1-2-16(24)21-22-17(25)10-3-5-12(19)14(8-10)23(26)27/h3-6,8-9H,1-2,7H2,(H,21,24)(H,22,25)
InChIKeyXQBXPFQZEDOTQE-UHFFFAOYSA-N
XLogP4.18
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.67
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide
CID 4633302
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
3-bromo-N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 4959624
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
4-(2,4-dichlorophenoxy)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]butanamide
CID 4500960
N-[[(3-chlorobenzoyl)amino]carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide
CID 4500967
4-(2,4-dichlorophenoxy)-N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]-4-nitrophenyl]butanamide
CID 5181794
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
CID 19168127
N-[2-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-2-oxoethyl]naphthalene-2-carboxamide
CID 24538219

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide?
The IUPAC name of 4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide (CID 3382871) is 4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide.
What is the SMILES notation for 4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide?
The canonical SMILES for 4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide is O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide?
The InChIKey is XQBXPFQZEDOTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3N3O5/c18-11-4-6-15(13(20)9-11)28-7-1-2-16(24)21-22-17(25)10-3-5-12(19)14(8-10)23(26)27/h3-6,8-9H,1-2,7H2,(H,21,24)(H,22,25).
What are the key properties of 4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide?
4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide has a molecular weight of 446.67 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 3382871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).