2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide

C16H13Cl2N3O5 — CID 9206008

IUPAC2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
SMILESC[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3O5/c1-9(26-14-5-3-2-4-13(14)21(24)25)15(22)19-20-16(23)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,19,22)(H,20,23)/t9-/m1/s1
InChIKeySNXWECQDQYZDKD-SECBINFHSA-N
MW398.20 g/mol
LogP3.13
Rot. Bonds5

About 2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide

2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide (PubChem CID 9206008) has the molecular formula C16H13Cl2N3O5 and a molecular weight of 398.20 g/mol. Its IUPAC name is 2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
PubChem CID9206008
Molecular FormulaC16H13Cl2N3O5
Molecular Weight398.20 g/mol
Exact Mass397.02
IUPAC Name2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
SMILESC[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3O5/c1-9(26-14-5-3-2-4-13(14)21(24)25)15(22)19-20-16(23)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,19,22)(H,20,23)/t9-/m1/s1
InChIKeySNXWECQDQYZDKD-SECBINFHSA-N
XLogP3.13
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 53.13
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'}

Analyze 2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944143
N'-[2-(2-chlorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 4932160
2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
CID 4507508
N'-[2-(2-fluorophenoxy)propanoyl]-2-nitrobenzohydrazide
CID 43003717
(2-nitrophenyl) (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1013718
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944277
2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid
CID 3349728
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475
3-bromo-4-methyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944269

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide (CID 9206008) is 2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide is C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide?
The InChIKey is SNXWECQDQYZDKD-SECBINFHSA-N. The full InChI is InChI=1S/C16H13Cl2N3O5/c1-9(26-14-5-3-2-4-13(14)21(24)25)15(22)19-20-16(23)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,19,22)(H,20,23)/t9-/m1/s1.
What are the key properties of 2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide?
2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide has a molecular weight of 398.20 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 9206008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).