2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide

C24H20ClN3O4 — CID 43903889

IUPAC2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCC(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C24H20ClN3O4/c25-21-11-10-18(28(31)32)14-20(21)23(29)26-22-9-5-4-8-19(22)24(30)27-13-12-17(15-27)16-6-2-1-3-7-16/h1-11,14,17H,12-13,15H2,(H,26,29)
InChIKeyYTIDLRKSKGJOTJ-UHFFFAOYSA-N
MW449.89 g/mol
LogP5.13
Rot. Bonds5

About 2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide

2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 43903889) has the molecular formula C24H20ClN3O4 and a molecular weight of 449.89 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID43903889
Molecular FormulaC24H20ClN3O4
Molecular Weight449.89 g/mol
Exact Mass449.11
IUPAC Name2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCC(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C24H20ClN3O4/c25-21-11-10-18(28(31)32)14-20(21)23(29)26-22-9-5-4-8-19(22)24(30)27-13-12-17(15-27)16-6-2-1-3-7-16/h1-11,14,17H,12-13,15H2,(H,26,29)
InChIKeyYTIDLRKSKGJOTJ-UHFFFAOYSA-N
XLogP5.13
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.89
LogP ≤ 55.13
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-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
CID 4676090
2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903884
2-chloro-N-[2-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
CID 78837706
4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903885
5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 43903957
N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide
CID 43903864
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
(2-chloro-5-nitrophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 75370875
1-(2-chloro-5-nitrobenzoyl)pyrrolidine-3-carboxylic acid
CID 63030602
2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide
CID 3596700
5-[3-carboxy-4-[(2-chloro-5-nitrobenzoyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]benzoic acid
CID 5121715
1-(2-chlorobenzoyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide
CID 17223292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide (CID 43903889) is 2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)N1CCC(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is YTIDLRKSKGJOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4/c25-21-11-10-18(28(31)32)14-20(21)23(29)26-22-9-5-4-8-19(22)24(30)27-13-12-17(15-27)16-6-2-1-3-7-16/h1-11,14,17H,12-13,15H2,(H,26,29).
What are the key properties of 2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide?
2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 449.89 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 43903889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).