N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide

C19H17N5O5 — CID 24554224

IUPACN-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide
SMILESCn1cc(C(=O)NNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21
InChIInChI=1S/C19H17N5O5/c1-23-11-15(14-7-2-3-8-16(14)23)19(27)22-21-17(25)10-20-18(26)12-5-4-6-13(9-12)24(28)29/h2-9,11H,10H2,1H3,(H,20,26)(H,21,25)(H,22,27)
InChIKeyXXMXYWUQZYHPIT-UHFFFAOYSA-N
MW395.38 g/mol
LogP1.28
Rot. Bonds5

About N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide

N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide (PubChem CID 24554224) has the molecular formula C19H17N5O5 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide
PubChem CID24554224
Molecular FormulaC19H17N5O5
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC NameN-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide
SMILESCn1cc(C(=O)NNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21
InChIInChI=1S/C19H17N5O5/c1-23-11-15(14-7-2-3-8-16(14)23)19(27)22-21-17(25)10-20-18(26)12-5-4-6-13(9-12)24(28)29/h2-9,11H,10H2,1H3,(H,20,26)(H,21,25)(H,22,27)
InChIKeyXXMXYWUQZYHPIT-UHFFFAOYSA-N
XLogP1.28
TPSA135.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 40717303
N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide
CID 18159278
3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 27662135
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24554264
N-benzyl-3-nitro(11C)benzamide
CID 71606846
5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 27662850
N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide
CID 134056434
1-(2-methoxy-4-nitrophenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 3836810
3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 60515233
N-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-3-nitrobenzamide
CID 43019458
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide?
The IUPAC name of N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide (CID 24554224) is N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide.
What is the SMILES notation for N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide?
The canonical SMILES for N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide is Cn1cc(C(=O)NNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21.
What is the InChIKey of N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide?
The InChIKey is XXMXYWUQZYHPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O5/c1-23-11-15(14-7-2-3-8-16(14)23)19(27)22-21-17(25)10-20-18(26)12-5-4-6-13(9-12)24(28)29/h2-9,11H,10H2,1H3,(H,20,26)(H,21,25)(H,22,27).
What are the key properties of N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide?
N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide has a molecular weight of 395.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide is sourced from PubChem (CID 24554224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).