N-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide

C18H18N4O4 — CID 18125568

IUPACN-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide
SMILESO=C(CN1CCc2cc([N+](=O)[O-])ccc21)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H18N4O4/c23-17(20-18(24)19-11-13-4-2-1-3-5-13)12-21-9-8-14-10-15(22(25)26)6-7-16(14)21/h1-7,10H,8-9,11-12H2,(H2,19,20,23,24)
InChIKeyRPDFBJHIJMFVTN-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.98
Rot. Bonds5

About N-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide

N-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide (PubChem CID 18125568) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide
PubChem CID18125568
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide
SMILESO=C(CN1CCc2cc([N+](=O)[O-])ccc21)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H18N4O4/c23-17(20-18(24)19-11-13-4-2-1-3-5-13)12-21-9-8-14-10-15(22(25)26)6-7-16(14)21/h1-7,10H,8-9,11-12H2,(H2,19,20,23,24)
InChIKeyRPDFBJHIJMFVTN-UHFFFAOYSA-N
XLogP1.98
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 17411352
N-benzyl-7-nitro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110354585
N-(benzylcarbamoyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3930007
[2-(benzylcarbamoylamino)-2-oxoethyl] 3-nitrobenzoate
CID 2622462
(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
CID 4680241
2-(2,3-dihydroindol-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 8704309
N-(benzylcarbamoyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 46551379
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654337
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 47389879
N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 54810849
2-(5-nitro-2,3-dihydroindole-1-carbonyl)benzoate
CID 7155300
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylpropanoate
CID 55357197

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide (CID 18125568) is N-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide is O=C(CN1CCc2cc([N+](=O)[O-])ccc21)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide?
The InChIKey is RPDFBJHIJMFVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-17(20-18(24)19-11-13-4-2-1-3-5-13)12-21-9-8-14-10-15(22(25)26)6-7-16(14)21/h1-7,10H,8-9,11-12H2,(H2,19,20,23,24).
What are the key properties of N-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide?
N-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 354.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 18125568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).