2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide

C25H26ClN3O3 — CID 6044661

IUPAC2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(/C=N\NC(=O)C(NC(=O)c2ccccc2Cl)C(C)C)c2ccccc12
InChIInChI=1S/C25H26ClN3O3/c1-4-32-22-14-13-17(18-9-5-6-10-19(18)22)15-27-29-25(31)23(16(2)3)28-24(30)20-11-7-8-12-21(20)26/h5-16,23H,4H2,1-3H3,(H,28,30)(H,29,31)/b27-15-
InChIKeyGLKKBSBSZXRRBB-DICXZTSXSA-N
MW451.95 g/mol
LogP4.80
Rot. Bonds8

About 2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide

2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 6044661) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is 2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID6044661
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC Name2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(/C=N\NC(=O)C(NC(=O)c2ccccc2Cl)C(C)C)c2ccccc12
InChIInChI=1S/C25H26ClN3O3/c1-4-32-22-14-13-17(18-9-5-6-10-19(18)22)15-27-29-25(31)23(16(2)3)28-24(30)20-11-7-8-12-21(20)26/h5-16,23H,4H2,1-3H3,(H,28,30)(H,29,31)/b27-15-
InChIKeyGLKKBSBSZXRRBB-DICXZTSXSA-N
XLogP4.80
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 54.80
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

3,4-dichloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 6293169
2-chloro-N-[3-methyl-1-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3411659
N-[1-[2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 3874102
N-[1-[(2Z)-2-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 6148232
2,4-dichloro-N-[1-[2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3396650
2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033
N-[1-[2-[(3-bromo-4-butoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 4260654
2-chloro-N-[1-[2-[[3-methoxy-2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3916149
N-[1-[2-[[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 3571407
N-[1-[2-[(3-bromo-4-butoxy-5-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 4637319
4-chloro-N-[1-[2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3881547
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide (CID 6044661) is 2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide is CCOc1ccc(/C=N\NC(=O)C(NC(=O)c2ccccc2Cl)C(C)C)c2ccccc12.
What is the InChIKey of 2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is GLKKBSBSZXRRBB-DICXZTSXSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c1-4-32-22-14-13-17(18-9-5-6-10-19(18)22)15-27-29-25(31)23(16(2)3)28-24(30)20-11-7-8-12-21(20)26/h5-16,23H,4H2,1-3H3,(H,28,30)(H,29,31)/b27-15-.
What are the key properties of 2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?
2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 451.95 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 6044661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).