2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide

C17H15Cl2N3O3 — CID 5034506

IUPAC2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide
SMILESO=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C17H15Cl2N3O3/c18-13-4-3-5-15(16(13)21-8-1-2-9-21)20-17(23)12-7-6-11(22(24)25)10-14(12)19/h3-7,10H,1-2,8-9H2,(H,20,23)
InChIKeyDIPZOSBPVVDMHC-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.75
Rot. Bonds4

About 2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide

2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide (PubChem CID 5034506) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide
PubChem CID5034506
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide
SMILESO=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C17H15Cl2N3O3/c18-13-4-3-5-15(16(13)21-8-1-2-9-21)20-17(23)12-7-6-11(22(24)25)10-14(12)19/h3-7,10H,1-2,8-9H2,(H,20,23)
InChIKeyDIPZOSBPVVDMHC-UHFFFAOYSA-N
XLogP4.75
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.75
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-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide
CID 3596700
2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide
CID 7922555
3-[(2-chloro-4-nitrobenzoyl)amino]-2-methylbenzoic acid
CID 28671552
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3962327
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 17177067
N-(2-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 8749599
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 5126115
N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide
CID 952498
N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide
CID 1252873
2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 51319265
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide
CID 2301869

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide (CID 5034506) is 2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide is O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide?
The InChIKey is DIPZOSBPVVDMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c18-13-4-3-5-15(16(13)21-8-1-2-9-21)20-17(23)12-7-6-11(22(24)25)10-14(12)19/h3-7,10H,1-2,8-9H2,(H,20,23).
What are the key properties of 2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide?
2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide has a molecular weight of 380.23 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 5034506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).