4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide

C25H25ClN4O — CID 162493578

IUPAC4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide
SMILES[H]/N=N/c1c(Nc2ccccc2Cl)ccc(C(=O)N[C@H]2CCc3ccccc32)c1C(C)C
InChIInChI=1S/C25H25ClN4O/c1-15(2)23-18(25(31)29-20-13-11-16-7-3-4-8-17(16)20)12-14-22(24(23)30-27)28-21-10-6-5-9-19(21)26/h3-10,12,14-15,20,27-28H,11,13H2,1-2H3,(H,29,31)/b30-27+/t20-/m0/s1
InChIKeyWDJWZRUJPIJJMJ-MDIWGUTBSA-N
MW432.96 g/mol
LogP7.29
Rot. Bonds6

About 4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide

4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide (PubChem CID 162493578) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is 4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide
PubChem CID162493578
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC Name4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide
SMILES[H]/N=N/c1c(Nc2ccccc2Cl)ccc(C(=O)N[C@H]2CCc3ccccc32)c1C(C)C
InChIInChI=1S/C25H25ClN4O/c1-15(2)23-18(25(31)29-20-13-11-16-7-3-4-8-17(16)20)12-14-22(24(23)30-27)28-21-10-6-5-9-19(21)26/h3-10,12,14-15,20,27-28H,11,13H2,1-2H3,(H,29,31)/b30-27+/t20-/m0/s1
InChIKeyWDJWZRUJPIJJMJ-MDIWGUTBSA-N
XLogP7.29
TPSA77.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 57.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
3-amino-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yl-4-[3-(trifluoromethyl)anilino]benzamide
CID 162493579
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 841694
2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 51273724
3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 103981419
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976368
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976369
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide?
The IUPAC name of 4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide (CID 162493578) is 4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide.
What is the SMILES notation for 4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide?
The canonical SMILES for 4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide is [H]/N=N/c1c(Nc2ccccc2Cl)ccc(C(=O)N[C@H]2CCc3ccccc32)c1C(C)C.
What is the InChIKey of 4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide?
The InChIKey is WDJWZRUJPIJJMJ-MDIWGUTBSA-N. The full InChI is InChI=1S/C25H25ClN4O/c1-15(2)23-18(25(31)29-20-13-11-16-7-3-4-8-17(16)20)12-14-22(24(23)30-27)28-21-10-6-5-9-19(21)26/h3-10,12,14-15,20,27-28H,11,13H2,1-2H3,(H,29,31)/b30-27+/t20-/m0/s1.
What are the key properties of 4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide?
4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide has a molecular weight of 432.96 g/mol, XLogP of 7.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroanilino)-3-diazenyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylbenzamide is sourced from PubChem (CID 162493578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).