2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide

C25H22ClN3O2 — CID 91148036

IUPAC2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C25H22ClN3O2/c1-29(2)22(30)14-16-8-11-19(12-9-16)27-24(17-6-4-3-5-7-17)23-20-13-10-18(26)15-21(20)28-25(23)31/h3-13,15,23H,14H2,1-2H3,(H,28,31)/b27-24+
InChIKeyIURNTTSUOYOGAS-SOYKGTTHSA-N
MW431.92 g/mol
LogP4.83
Rot. Bonds5

About 2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide

2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide (PubChem CID 91148036) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is 2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide
PubChem CID91148036
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C25H22ClN3O2/c1-29(2)22(30)14-16-8-11-19(12-9-16)27-24(17-6-4-3-5-7-17)23-20-13-10-18(26)15-21(20)28-25(23)31/h3-13,15,23H,14H2,1-2H3,(H,28,31)/b27-24+
InChIKeyIURNTTSUOYOGAS-SOYKGTTHSA-N
XLogP4.83
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 90849989
6-chloro-3-[N-[4-[[di(propan-2-yl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 90691181
3-bromo-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 91482701
6-chloro-3-[C-(4-chlorophenyl)-N-[4-[(dimethylamino)methyl]phenyl]carbonimidoyl]-1,3-dihydroindol-2-one
CID 90689200
6-chloro-3-[N-(4-iodophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 91458345
3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 57206579
N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
CID 91315699
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 90933134
2-[4-[C-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-[4-[5-(dimethylamino)pentanoyl-methylamino]phenyl]carbonimidoyl]phenyl]acetic acid
CID 90808358
4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
CID 90948774
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-methyl-2-(4-propylpiperazin-1-yl)acetamide
CID 90920764
2-[4-(2-aminoethyl)piperazin-1-yl]-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-methylacetamide
CID 91187464

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide (CID 91148036) is 2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(Cl)ccc32)cc1.
What is the InChIKey of 2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide?
The InChIKey is IURNTTSUOYOGAS-SOYKGTTHSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-29(2)22(30)14-16-8-11-19(12-9-16)27-24(17-6-4-3-5-7-17)23-20-13-10-18(26)15-21(20)28-25(23)31/h3-13,15,23H,14H2,1-2H3,(H,28,31)/b27-24+.
What are the key properties of 2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide?
2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide has a molecular weight of 431.92 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 91148036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).