N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide

C20H22ClN3O4 — CID 4045134

IUPACN-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
SMILESCCOc1ccc(Cl)cc1C=NNC(=O)C(C)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H22ClN3O4/c1-4-28-18-10-7-16(21)11-15(18)12-22-24-19(25)13(2)23-20(26)14-5-8-17(27-3)9-6-14/h5-13H,4H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyBQUJWCBKNTYGLM-UHFFFAOYSA-N
MW403.87 g/mol
LogP3.02
Rot. Bonds8

About N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide

N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide (PubChem CID 4045134) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
PubChem CID4045134
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC NameN-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
SMILESCCOc1ccc(Cl)cc1C=NNC(=O)C(C)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H22ClN3O4/c1-4-28-18-10-7-16(21)11-15(18)12-22-24-19(25)13(2)23-20(26)14-5-8-17(27-3)9-6-14/h5-13H,4H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyBQUJWCBKNTYGLM-UHFFFAOYSA-N
XLogP3.02
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 5114873
N-[1-[2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3981650
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246115
N-[1-[2-[(2-butoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3926301
N-[1-[2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3947220
2-(4-chlorophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide
CID 5185765
N-[1-[2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 4642275
4-methoxy-N-[1-[2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 4033480
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 126103010
N-[1-[2-[(3-bromo-4-butoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 5013948
N-[1-[2-[(5-bromo-2-butoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3360795
4-chloro-N-[1-[2-[(3-ethoxy-4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3255247

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide (CID 4045134) is N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide is CCOc1ccc(Cl)cc1C=NNC(=O)C(C)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide?
The InChIKey is BQUJWCBKNTYGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-4-28-18-10-7-16(21)11-15(18)12-22-24-19(25)13(2)23-20(26)14-5-8-17(27-3)9-6-14/h5-13H,4H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide?
N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide has a molecular weight of 403.87 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 4045134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).