N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide

C26H23ClN4O4 — CID 24629049

IUPACN-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCC(c2ccccc2Cl)c2c[nH]c3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C26H23ClN4O4/c1-16-10-11-17(12-24(16)31(34)35)26(33)30-15-25(32)29-14-20(18-6-2-4-8-22(18)27)21-13-28-23-9-5-3-7-19(21)23/h2-13,20,28H,14-15H2,1H3,(H,29,32)(H,30,33)
InChIKeyRAJMKXRTPCAENS-UHFFFAOYSA-N
MW490.95 g/mol
LogP4.72
Rot. Bonds8

About N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide

N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide (PubChem CID 24629049) has the molecular formula C26H23ClN4O4 and a molecular weight of 490.95 g/mol. Its IUPAC name is N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide
PubChem CID24629049
Molecular FormulaC26H23ClN4O4
Molecular Weight490.95 g/mol
Exact Mass490.14
IUPAC NameN-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCC(c2ccccc2Cl)c2c[nH]c3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C26H23ClN4O4/c1-16-10-11-17(12-24(16)31(34)35)26(33)30-15-25(32)29-14-20(18-6-2-4-8-22(18)27)21-13-28-23-9-5-3-7-19(21)23/h2-13,20,28H,14-15H2,1H3,(H,29,32)(H,30,33)
InChIKeyRAJMKXRTPCAENS-UHFFFAOYSA-N
XLogP4.72
TPSA117.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.95
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 55351916
N-[2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3-methyl-4-nitrobenzamide
CID 112768661
N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24503109
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35126826
N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 35126814
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35680929
[2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 4856745
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 24634626
ethyl 4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoate
CID 42911057
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 46972382
trans-(1R,2R)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-nitrocyclopropane-1-carboxamide
CID 98681469

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide (CID 24629049) is N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)NCC(=O)NCC(c2ccccc2Cl)c2c[nH]c3ccccc23)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide?
The InChIKey is RAJMKXRTPCAENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O4/c1-16-10-11-17(12-24(16)31(34)35)26(33)30-15-25(32)29-14-20(18-6-2-4-8-22(18)27)21-13-28-23-9-5-3-7-19(21)23/h2-13,20,28H,14-15H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide?
N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide has a molecular weight of 490.95 g/mol, XLogP of 4.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 24629049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).