4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C20H16ClN3O3 — CID 135479575

IUPAC4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H16ClN3O3/c21-15-8-5-14(6-9-15)20(27)22-12-19(26)24-23-11-17-16-4-2-1-3-13(16)7-10-18(17)25/h1-11,25H,12H2,(H,22,27)(H,24,26)/b23-11+
InChIKeyPAHWRFXVLMVPKT-FOKLQQMPSA-N
MW381.82 g/mol
LogP3.08
Rot. Bonds5

About 4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 135479575) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID135479575
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H16ClN3O3/c21-15-8-5-14(6-9-15)20(27)22-12-19(26)24-23-11-17-16-4-2-1-3-13(16)7-10-18(17)25/h1-11,25H,12H2,(H,22,27)(H,24,26)/b23-11+
InChIKeyPAHWRFXVLMVPKT-FOKLQQMPSA-N
XLogP3.08
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

4-chloro-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
CID 135497917
N-[(E)-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]naphthalen-1-yl]methylideneamino]-3-cyano-4-hydroxybenzamide
CID 10864579
4-[(3-Chloro-4-hydroxy-benzoyl)-hydrazonomethyl]-naphthalene-1-carboxylic acid [2-(4-chloro-phenyl)-ethyl]-amide
CID 10907299
3-Chloro-4-hydroxy-benzoic acid (4-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135503676
3,7-Dihydroxy-naphthalene-2-carboxylic acid 4-chloro-benzylamide
CID 481500
N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 2876910
N-[(E)-[4-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 71450867
3-chloro-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
CID 135503646
4-chloro-1-N-cyclohexyl-2-N-[(4-hydroxyphenyl)methylideneamino]benzene-1,2-dicarboxamide
CID 136240130
3-Hydroxy-naphthalene-2-carboxylic acid 4-chloro-benzylamide
CID 481486
N-[2-(4-chlorophenyl)ethyl]-3-hydroxy-naphthalene-2-carboxamide
CID 481488
N-[2-(4-chlorophenyl)ethyl]-6-hydroxynaphthalene-2-carboxamide
CID 44456868

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 135479575) is 4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is PAHWRFXVLMVPKT-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c21-15-8-5-14(6-9-15)20(27)22-12-19(26)24-23-11-17-16-4-2-1-3-13(16)7-10-18(17)25/h1-11,25H,12H2,(H,22,27)(H,24,26)/b23-11+.
What are the key properties of 4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 381.82 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 135479575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).