N-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide

C32H36Cl2N6O3 — CID 70986763

IUPACN-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCN(C)CCN1CCN(c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2NC(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C32H36Cl2N6O3/c1-38(2)11-12-39-13-15-40(16-14-39)29-8-5-23(31(42)35-10-9-21-3-6-25(33)20-26(21)34)18-28(29)37-32(43)22-4-7-27-24(17-22)19-30(41)36-27/h3-8,17-18,20H,9-16,19H2,1-2H3,(H,35,42)(H,36,41)(H,37,43)
InChIKeyVBLNVRLKHKXYSN-UHFFFAOYSA-N
MW623.59 g/mol
LogP4.40
Rot. Bonds10

About N-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide

N-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 70986763) has the molecular formula C32H36Cl2N6O3 and a molecular weight of 623.59 g/mol. Its IUPAC name is N-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID70986763
Molecular FormulaC32H36Cl2N6O3
Molecular Weight623.59 g/mol
Exact Mass622.22
IUPAC NameN-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCN(C)CCN1CCN(c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2NC(=O)c2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C32H36Cl2N6O3/c1-38(2)11-12-39-13-15-40(16-14-39)29-8-5-23(31(42)35-10-9-21-3-6-25(33)20-26(21)34)18-28(29)37-32(43)22-4-7-27-24(17-22)19-30(41)36-27/h3-8,17-18,20H,9-16,19H2,1-2H3,(H,35,42)(H,36,41)(H,37,43)
InChIKeyVBLNVRLKHKXYSN-UHFFFAOYSA-N
XLogP4.40
TPSA97.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.59
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-chlorobenzoyl)amino]-N-[2-(2-chlorophenyl)ethyl]-4-[4-[2-(dimethylamino)ethyl]piperazin-4-ium-1-yl]benzamide
CID 163421344
3-[(3-chlorobenzoyl)amino]-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(2-phenylpropyl)benzamide
CID 59603733
3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 68631283
4-[4-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[(2-fluorobenzoyl)amino]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide
CID 15605007
N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 112838213
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 68631280
N-[2-(2,4-dichlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4857980
4-[2-(3-chloroanilino)-4-[2-(2,4-dichlorophenyl)ethylcarbamoyl]phenyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 69406989
methyl 4-chloro-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]benzoate
CID 110700432
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
4-chloro-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]benzoic acid
CID 63083188

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 70986763) is N-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide is CN(C)CCN1CCN(c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2NC(=O)c2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of N-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is VBLNVRLKHKXYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Cl2N6O3/c1-38(2)11-12-39-13-15-40(16-14-39)29-8-5-23(31(42)35-10-9-21-3-6-25(33)20-26(21)34)18-28(29)37-32(43)22-4-7-27-24(17-22)19-30(41)36-27/h3-8,17-18,20H,9-16,19H2,1-2H3,(H,35,42)(H,36,41)(H,37,43).
What are the key properties of N-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 623.59 g/mol, XLogP of 4.40, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 70986763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).