4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

C18H17N3O4 — CID 4932409

IUPAC4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H17N3O4/c22-17(13-7-9-14(10-8-13)21(24)25)19-16-6-2-1-5-15(16)18(23)20-11-3-4-12-20/h1-2,5-10H,3-4,11-12H2,(H,19,22)
InChIKeyBIYOYNXREOGUGC-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.08
Rot. Bonds4

About 4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 4932409) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID4932409
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H17N3O4/c22-17(13-7-9-14(10-8-13)21(24)25)19-16-6-2-1-5-15(16)18(23)20-11-3-4-12-20/h1-2,5-10H,3-4,11-12H2,(H,19,22)
InChIKeyBIYOYNXREOGUGC-UHFFFAOYSA-N
XLogP3.08
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
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-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
CID 4939305
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4936008
4-methylsulfanyl-3-nitro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905323
ethyl 3-nitro-5-[[2-(piperidine-1-carbonyl)phenyl]carbamoyl]benzoate
CID 18286678
4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951317
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46543764
4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905324
3-nitro-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 4936132
N-[3-(azepane-1-carbonyl)phenyl]-4-nitrobenzamide
CID 26159233

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 4932409) is 4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is BIYOYNXREOGUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-17(13-7-9-14(10-8-13)21(24)25)19-16-6-2-1-5-15(16)18(23)20-11-3-4-12-20/h1-2,5-10H,3-4,11-12H2,(H,19,22).
What are the key properties of 4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 339.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 4932409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).