N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide

C19H21ClN2O5 — CID 9090512

IUPACN'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)Cc2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C19H21ClN2O5/c1-4-27-16-7-5-12(10-17(16)26-3)19(24)22-21-18(23)11-13-9-14(20)6-8-15(13)25-2/h5-10H,4,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyCPYIVFQHWLMERE-UHFFFAOYSA-N
MW392.84 g/mol
LogP2.76
Rot. Bonds7

About N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide

N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide (PubChem CID 9090512) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide
PubChem CID9090512
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC NameN'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)Cc2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C19H21ClN2O5/c1-4-27-16-7-5-12(10-17(16)26-3)19(24)22-21-18(23)11-13-9-14(20)6-8-15(13)25-2/h5-10H,4,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyCPYIVFQHWLMERE-UHFFFAOYSA-N
XLogP2.76
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 30860668
N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934164
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
4-ethoxy-3-methoxy-N'-(2-naphthalen-2-ylacetyl)benzohydrazide
CID 9439837
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 26657660
2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide
CID 60700587
N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934045
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide?
The IUPAC name of N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide (CID 9090512) is N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)Cc2cc(Cl)ccc2OC)cc1OC.
What is the InChIKey of N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide?
The InChIKey is CPYIVFQHWLMERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-4-27-16-7-5-12(10-17(16)26-3)19(24)22-21-18(23)11-13-9-14(20)6-8-15(13)25-2/h5-10H,4,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide?
N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide has a molecular weight of 392.84 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide is sourced from PubChem (CID 9090512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).