N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide

C25H32ClN5O2 — CID 30576976

IUPACN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
SMILESCN1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C25H32ClN5O2/c1-29-11-13-31(14-12-29)23(18-7-8-22-19(15-18)9-10-30(22)2)17-28-25(33)24(32)27-16-20-5-3-4-6-21(20)26/h3-8,15,23H,9-14,16-17H2,1-2H3,(H,27,32)(H,28,33)/t23-/m0/s1
InChIKeyMIPKVOFYRFGTNB-QHCPKHFHSA-N
MW470.02 g/mol
LogP2.05
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide

N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide (PubChem CID 30576976) has the molecular formula C25H32ClN5O2 and a molecular weight of 470.02 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
PubChem CID30576976
Molecular FormulaC25H32ClN5O2
Molecular Weight470.02 g/mol
Exact Mass469.22
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
SMILESCN1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C25H32ClN5O2/c1-29-11-13-31(14-12-29)23(18-7-8-22-19(15-18)9-10-30(22)2)17-28-25(33)24(32)27-16-20-5-3-4-6-21(20)26/h3-8,15,23H,9-14,16-17H2,1-2H3,(H,27,32)(H,28,33)/t23-/m0/s1
InChIKeyMIPKVOFYRFGTNB-QHCPKHFHSA-N
XLogP2.05
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.02
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576915
N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 40890606
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-N'-phenyloxamide
CID 51449135
N'-(3-chloro-4-fluorophenyl)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 51640961
N-(2-methoxyethyl)-N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576639
N'-(5-chloro-2-methylphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30577049
2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575595
N'-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 30578000
N-ethyl-N'-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30577985
N'-cyclohexyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576636
N-[(4-methoxyphenyl)methyl]-N'-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 16801998
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51640949

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide (CID 30576976) is N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide is CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccc3c(c2)CCN3C)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The InChIKey is MIPKVOFYRFGTNB-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H32ClN5O2/c1-29-11-13-31(14-12-29)23(18-7-8-22-19(15-18)9-10-30(22)2)17-28-25(33)24(32)27-16-20-5-3-4-6-21(20)26/h3-8,15,23H,9-14,16-17H2,1-2H3,(H,27,32)(H,28,33)/t23-/m0/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide has a molecular weight of 470.02 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide is sourced from PubChem (CID 30576976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).