N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide

C20H18N4O2 — CID 67969256

IUPACN-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
SMILESNc1ccccc1C=NNC(=O)CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C20H18N4O2/c21-18-11-4-2-7-15(18)12-23-24-19(25)13-22-20(26)17-10-5-8-14-6-1-3-9-16(14)17/h1-12H,13,21H2,(H,22,26)(H,24,25)
InChIKeyAGIWVVDLBAAUDV-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.30
Rot. Bonds5

About N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide

N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide (PubChem CID 67969256) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
PubChem CID67969256
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
SMILESNc1ccccc1C=NNC(=O)CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C20H18N4O2/c21-18-11-4-2-7-15(18)12-23-24-19(25)13-22-20(26)17-10-5-8-14-6-1-3-9-16(14)17/h1-12H,13,21H2,(H,22,26)(H,24,25)
InChIKeyAGIWVVDLBAAUDV-UHFFFAOYSA-N
XLogP2.30
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 5063560
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 135685527
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6036868
N-[2-[(2Z)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 136822697
N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
CID 5164609
N-[2-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6304212
N-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 4670526
N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6009175
N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6021400
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
[4-bromo-2-[[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3819577
N-(2-amino-2-oxoethyl)naphthalene-1-carboxamide
CID 4059241

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide (CID 67969256) is N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide is Nc1ccccc1C=NNC(=O)CNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?
The InChIKey is AGIWVVDLBAAUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-18-11-4-2-7-15(18)12-23-24-19(25)13-22-20(26)17-10-5-8-14-6-1-3-9-16(14)17/h1-12H,13,21H2,(H,22,26)(H,24,25).
What are the key properties of N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?
N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-aminophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 67969256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).