N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide

C20H20N4O4 — CID 17411352

IUPACN-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1CCc2cc([N+](=O)[O-])ccc21)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C20H20N4O4/c25-19(12-23-10-9-13-11-15(24(27)28)7-8-18(13)23)22-17-4-2-1-3-16(17)20(26)21-14-5-6-14/h1-4,7-8,11,14H,5-6,9-10,12H2,(H,21,26)(H,22,25)
InChIKeyFPLRMNCJFFROOO-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.49
Rot. Bonds6

About N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide

N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide (PubChem CID 17411352) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
PubChem CID17411352
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1CCc2cc([N+](=O)[O-])ccc21)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C20H20N4O4/c25-19(12-23-10-9-13-11-15(24(27)28)7-8-18(13)23)22-17-4-2-1-3-16(17)20(26)21-14-5-6-14/h1-4,7-8,11,14H,5-6,9-10,12H2,(H,21,26)(H,22,25)
InChIKeyFPLRMNCJFFROOO-UHFFFAOYSA-N
XLogP2.49
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.49
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-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55841828
N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide
CID 16610937
N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 55366968
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 55531472
N-(benzylcarbamoyl)-2-(5-nitro-2,3-dihydroindol-1-yl)acetamide
CID 18125568
N-[2-(cyclopropylcarbamoyl)phenyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
CID 26905770
N-cyclohexyl-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 2928177
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-nitrobenzoate
CID 9454767
N-cyclopropyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 2697520
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 34948033
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 8704585

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide (CID 17411352) is N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide is O=C(CN1CCc2cc([N+](=O)[O-])ccc21)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide?
The InChIKey is FPLRMNCJFFROOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-19(12-23-10-9-13-11-15(24(27)28)7-8-18(13)23)22-17-4-2-1-3-16(17)20(26)21-14-5-6-14/h1-4,7-8,11,14H,5-6,9-10,12H2,(H,21,26)(H,22,25).
What are the key properties of N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide has a molecular weight of 380.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 17411352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).