3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide

C24H21ClN4O2 — CID 134107270

IUPAC3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide
SMILESCc1ccc(NC(=O)N/N=C2\c3ccccc3CC2NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C24H21ClN4O2/c1-15-9-11-19(12-10-15)26-24(31)29-28-22-20-8-3-2-5-16(20)14-21(22)27-23(30)17-6-4-7-18(25)13-17/h2-13,21H,14H2,1H3,(H,27,30)(H2,26,29,31)/b28-22+
InChIKeyGPPBZHZJXXFSGA-XAYXJRQQSA-N
MW432.91 g/mol
LogP4.53
Rot. Bonds4

About 3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide

3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide (PubChem CID 134107270) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide
PubChem CID134107270
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide
SMILESCc1ccc(NC(=O)N/N=C2\c3ccccc3CC2NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C24H21ClN4O2/c1-15-9-11-19(12-10-15)26-24(31)29-28-22-20-8-3-2-5-16(20)14-21(22)27-23(30)17-6-4-7-18(25)13-17/h2-13,21H,14H2,1H3,(H,27,30)(H2,26,29,31)/b28-22+
InChIKeyGPPBZHZJXXFSGA-XAYXJRQQSA-N
XLogP4.53
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.53
H-Bond Donors ≤ 53
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

3-chloro-N-[(3E)-3-[[4-(trifluoromethoxy)phenyl]carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide
CID 134096267
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22775712
3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
3-chloro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547239
3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 23096582
3-chloro-N-[N-(4-methylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50771274
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4674584
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide (CID 134107270) is 3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide is Cc1ccc(NC(=O)N/N=C2\c3ccccc3CC2NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide?
The InChIKey is GPPBZHZJXXFSGA-XAYXJRQQSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-15-9-11-19(12-10-15)26-24(31)29-28-22-20-8-3-2-5-16(20)14-21(22)27-23(30)17-6-4-7-18(25)13-17/h2-13,21H,14H2,1H3,(H,27,30)(H2,26,29,31)/b28-22+.
What are the key properties of 3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide?
3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide has a molecular weight of 432.91 g/mol, XLogP of 4.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3E)-3-[(4-methylphenyl)carbamoylhydrazinylidene]-1,2-dihydroinden-2-yl]benzamide is sourced from PubChem (CID 134107270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).