2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

C20H21N3O4 — CID 18153736

IUPAC2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H21N3O4/c24-19(13-17-5-1-2-6-18(17)23(26)27)21-14-15-7-9-16(10-8-15)20(25)22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,21,24)
InChIKeyFHMMYYPSVFKNRL-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.69
Rot. Bonds6

About 2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 18153736) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID18153736
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H21N3O4/c24-19(13-17-5-1-2-6-18(17)23(26)27)21-14-15-7-9-16(10-8-15)20(25)22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,21,24)
InChIKeyFHMMYYPSVFKNRL-UHFFFAOYSA-N
XLogP2.69
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.69
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

2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
2-(2-methyl-3-nitroanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29459287
4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 32627467
N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 116649980
2-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 32682697
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463689
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone
CID 38388235
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone
CID 39572412
2-(2-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 92672267
2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide
CID 18153747
2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (CID 18153736) is 2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is FHMMYYPSVFKNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-19(13-17-5-1-2-6-18(17)23(26)27)21-14-15-7-9-16(10-8-15)20(25)22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,21,24).
What are the key properties of 2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 18153736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).