N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide

C20H22N4O4 — CID 51255829

IUPACN-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H22N4O4/c25-19-7-3-4-14-23(19)16-10-8-15(9-11-16)20(26)22-13-12-21-17-5-1-2-6-18(17)24(27)28/h1-2,5-6,8-11,21H,3-4,7,12-14H2,(H,22,26)
InChIKeySDWJJZMMTYUCIZ-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.95
Rot. Bonds7

About N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide

N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 51255829) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID51255829
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H22N4O4/c25-19-7-3-4-14-23(19)16-10-8-15(9-11-16)20(26)22-13-12-21-17-5-1-2-6-18(17)24(27)28/h1-2,5-6,8-11,21H,3-4,7,12-14H2,(H,22,26)
InChIKeySDWJJZMMTYUCIZ-UHFFFAOYSA-N
XLogP2.95
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55839404
N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9278830
4-methyl-N-[2-(2-nitroanilino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 41275493
4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 51081174
N-[2-(2-nitroanilino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 9278484
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490586
4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
CID 32934030
3,4-dimethyl-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278238
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490231
1-methylsulfonyl-N-[2-(2-nitroanilino)ethyl]-2,3-dihydroindole-5-carboxamide
CID 9278923
N-[2-(2-nitroanilino)ethyl]-4-(propan-2-yloxymethyl)benzamide
CID 9278940

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide (CID 51255829) is N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide is O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is SDWJJZMMTYUCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-19-7-3-4-14-23(19)16-10-8-15(9-11-16)20(26)22-13-12-21-17-5-1-2-6-18(17)24(27)28/h1-2,5-6,8-11,21H,3-4,7,12-14H2,(H,22,26).
What are the key properties of N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 382.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-nitroanilino)ethyl]-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 51255829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).