N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide

C20H15Cl2N3O2 — CID 6036868

IUPACN-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
SMILESO=C(CNC(=O)c1cccc2ccccc12)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2N3O2/c21-15-9-8-14(18(22)10-15)11-24-25-19(26)12-23-20(27)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,23,27)(H,25,26)/b24-11-
InChIKeySDFQBUVWPODYHK-MYKKPKGFSA-N
MW400.27 g/mol
LogP4.03
Rot. Bonds5

About N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide

N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide (PubChem CID 6036868) has the molecular formula C20H15Cl2N3O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
PubChem CID6036868
Molecular FormulaC20H15Cl2N3O2
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC NameN-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
SMILESO=C(CNC(=O)c1cccc2ccccc12)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2N3O2/c21-15-9-8-14(18(22)10-15)11-24-25-19(26)12-23-20(27)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,23,27)(H,25,26)/b24-11-
InChIKeySDFQBUVWPODYHK-MYKKPKGFSA-N
XLogP4.03
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[(2Z)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 136822697
N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 5063560
N-[2-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6304212
N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 67969256
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 4188604
N-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 4670526
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 135685527
[4-bromo-2-[[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3819577
N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
CID 5164609
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-2,4-dichlorobenzamide
CID 5031566
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 5070346

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide (CID 6036868) is N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide is O=C(CNC(=O)c1cccc2ccccc12)N/N=C\c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?
The InChIKey is SDFQBUVWPODYHK-MYKKPKGFSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2/c21-15-9-8-14(18(22)10-15)11-24-25-19(26)12-23-20(27)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,23,27)(H,25,26)/b24-11-.
What are the key properties of N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide has a molecular weight of 400.27 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 6036868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).