N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide

C25H25N3O3 — CID 45146535

IUPACN-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C(c1cccc([N+](=O)[O-])c1)N1CCCC1
InChIInChI=1S/C25H25N3O3/c29-25(26-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20)24(27-16-7-8-17-27)21-14-9-15-22(18-21)28(30)31/h1-6,9-15,18,23-24H,7-8,16-17H2,(H,26,29)
InChIKeyTXXVLKCEAGWUIN-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.64
Rot. Bonds7

About N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide

N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 45146535) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID45146535
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C(c1cccc([N+](=O)[O-])c1)N1CCCC1
InChIInChI=1S/C25H25N3O3/c29-25(26-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20)24(27-16-7-8-17-27)21-14-9-15-22(18-21)28(30)31/h1-6,9-15,18,23-24H,7-8,16-17H2,(H,26,29)
InChIKeyTXXVLKCEAGWUIN-UHFFFAOYSA-N
XLogP4.64
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.64
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'}

Analyze N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-benzhydryl-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide
CID 27877890
2-(3-nitrophenyl)-2-piperidin-1-ylacetic acid
CID 84747846
(2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 1230131
2-(3-nitrophenyl)-2-piperidin-1-ylethanethioamide
CID 84749908
(2S)-N-(2-methylphenyl)-2-morpholin-4-yl-2-(3-nitrophenyl)acetamide
CID 7317186
1-[1-(3-nitrophenyl)ethyl]azocane
CID 55409923
3-(azepan-1-yl)-2-hydroxy-3-(3-nitrophenyl)-1-phenylpropan-1-one
CID 171979648
2-(1,3-dioxoisoindol-2-yl)-2-(3-nitrophenyl)acetic acid
CID 154154431
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 3-nitrobenzoate
CID 7769143
2-(azepan-1-yl)-2-(3-nitrophenyl)acetonitrile
CID 84756567
2-(3-nitrophenyl)-2-piperidin-1-ylacetonitrile
CID 84757733
(2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid
CID 67571498

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide (CID 45146535) is N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide is O=C(NC(c1ccccc1)c1ccccc1)C(c1cccc([N+](=O)[O-])c1)N1CCCC1.
What is the InChIKey of N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is TXXVLKCEAGWUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-25(26-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20)24(27-16-7-8-17-27)21-14-9-15-22(18-21)28(30)31/h1-6,9-15,18,23-24H,7-8,16-17H2,(H,26,29).
What are the key properties of N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide?
N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 415.49 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(3-nitrophenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 45146535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).