N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide

C18H18ClN3O3 — CID 45054317

IUPACN-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-2-25-16-8-6-14(7-9-16)18(24)20-12-17(23)22-21-11-13-4-3-5-15(19)10-13/h3-11H,2,12H2,1H3,(H,20,24)(H,22,23)/b21-11+
InChIKeyVTJXMCZXQCAWJD-SRZZPIQSSA-N
MW359.81 g/mol
LogP2.62
Rot. Bonds7

About N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide

N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide (PubChem CID 45054317) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide
PubChem CID45054317
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-2-25-16-8-6-14(7-9-16)18(24)20-12-17(23)22-21-11-13-4-3-5-15(19)10-13/h3-11H,2,12H2,1H3,(H,20,24)(H,22,23)/b21-11+
InChIKeyVTJXMCZXQCAWJD-SRZZPIQSSA-N
XLogP2.62
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[4-[[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3860866
3-bromo-N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4316805
N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 6105640
4-butoxy-N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6006672
N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide
CID 3797207
N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
CID 3742619
N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246369
N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-ethoxybenzamide
CID 6906990
4-chloro-N-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4206598
[4-[[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3718143
[4-[(Z)-[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 6073993
[4-[(E)-[[2-[(4-ethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 51061224

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide (CID 45054317) is N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide?
The InChIKey is VTJXMCZXQCAWJD-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-2-25-16-8-6-14(7-9-16)18(24)20-12-17(23)22-21-11-13-4-3-5-15(19)10-13/h3-11H,2,12H2,1H3,(H,20,24)(H,22,23)/b21-11+.
What are the key properties of N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide?
N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide has a molecular weight of 359.81 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-ethoxybenzamide is sourced from PubChem (CID 45054317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).