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

C19H19N3O4 — CID 32627467

IUPAC4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N3O4/c23-18(15-7-9-17(10-8-15)22(25)26)20-13-14-3-5-16(6-4-14)19(24)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,23)
InChIKeyUXXFXLAMJUTGHN-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.76
Rot. Bonds5

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

4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (PubChem CID 32627467) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
PubChem CID32627467
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N3O4/c23-18(15-7-9-17(10-8-15)22(25)26)20-13-14-3-5-16(6-4-14)19(24)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,23)
InChIKeyUXXFXLAMJUTGHN-UHFFFAOYSA-N
XLogP2.76
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.76
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-[(4-chlorophenyl)methyl]-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 1301555
2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 18153736
N-[(4-fluorophenyl)methyl]-4-nitrobenzamide
CID 1101313
N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 18153751
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 167938471
4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 7964038
4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 2164802
1-[4-(azepane-1-carbonyl)phenyl]-3-(4-nitrophenyl)urea
CID 166354714
N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide
CID 10314877
4-acetamido-N-[(4-nitrophenyl)methyl]benzamide
CID 60535872

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (CID 32627467) is 4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The InChIKey is UXXFXLAMJUTGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-18(15-7-9-17(10-8-15)22(25)26)20-13-14-3-5-16(6-4-14)19(24)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,23).
What are the key properties of 4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 32627467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).