2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide

C23H21ClN4O3 — CID 42991489

IUPAC2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide
SMILESCOc1ccccc1NCC(=O)N/N=C/c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C23H21ClN4O3/c1-31-21-12-5-4-11-20(21)25-15-22(29)28-26-14-16-7-6-8-17(13-16)27-23(30)18-9-2-3-10-19(18)24/h2-14,25H,15H2,1H3,(H,27,30)(H,28,29)/b26-14+
InChIKeyCNZNKMDXLDJHGG-VULFUBBASA-N
MW436.90 g/mol
LogP4.16
Rot. Bonds8

About 2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide

2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide (PubChem CID 42991489) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide
PubChem CID42991489
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Name2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide
SMILESCOc1ccccc1NCC(=O)N/N=C/c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C23H21ClN4O3/c1-31-21-12-5-4-11-20(21)25-15-22(29)28-26-14-16-7-6-8-17(13-16)27-23(30)18-9-2-3-10-19(18)24/h2-14,25H,15H2,1H3,(H,27,30)(H,28,29)/b26-14+
InChIKeyCNZNKMDXLDJHGG-VULFUBBASA-N
XLogP4.16
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.16
H-Bond Donors ≤ 53
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

2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide
CID 46803956
2-(3-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 4629127
2-(2-chloroanilino)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 695102
2-chloro-N-[2-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4605421
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942
N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 6144612
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 5427729
[2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 7933428
2-chloro-N-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6007933
[4-[[[2-(3-chloro-2-methylanilino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 4629550
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 171985531

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide (CID 42991489) is 2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide is COc1ccccc1NCC(=O)N/N=C/c1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide?
The InChIKey is CNZNKMDXLDJHGG-VULFUBBASA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-31-21-12-5-4-11-20(21)25-15-22(29)28-26-14-16-7-6-8-17(13-16)27-23(30)18-9-2-3-10-19(18)24/h2-14,25H,15H2,1H3,(H,27,30)(H,28,29)/b26-14+.
What are the key properties of 2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide?
2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide has a molecular weight of 436.90 g/mol, XLogP of 4.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide is sourced from PubChem (CID 42991489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).