2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide

C19H11Cl2N5O6 — CID 4183496

IUPAC2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide
SMILESO=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H11Cl2N5O6/c20-14-6-4-10(25(29)30)8-12(14)18(27)23-16-2-1-3-17(22-16)24-19(28)13-9-11(26(31)32)5-7-15(13)21/h1-9H,(H2,22,23,24,27,28)
InChIKeyCQUNMROLUJQCJW-UHFFFAOYSA-N
MW476.23 g/mol
LogP4.71
Rot. Bonds6

About 2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide

2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide (PubChem CID 4183496) has the molecular formula C19H11Cl2N5O6 and a molecular weight of 476.23 g/mol. Its IUPAC name is 2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide
PubChem CID4183496
Molecular FormulaC19H11Cl2N5O6
Molecular Weight476.23 g/mol
Exact Mass475.01
IUPAC Name2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide
SMILESO=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H11Cl2N5O6/c20-14-6-4-10(25(29)30)8-12(14)18(27)23-16-2-1-3-17(22-16)24-19(28)13-9-11(26(31)32)5-7-15(13)21/h1-9H,(H2,22,23,24,27,28)
InChIKeyCQUNMROLUJQCJW-UHFFFAOYSA-N
XLogP4.71
TPSA157.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.23
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide (CID 4183496) is 2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide is O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide?
The InChIKey is CQUNMROLUJQCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N5O6/c20-14-6-4-10(25(29)30)8-12(14)18(27)23-16-2-1-3-17(22-16)24-19(28)13-9-11(26(31)32)5-7-15(13)21/h1-9H,(H2,22,23,24,27,28).
What are the key properties of 2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide?
2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide has a molecular weight of 476.23 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[(2-chloro-5-nitrobenzoyl)amino]-2-pyridinyl]-5-nitrobenzamide is sourced from PubChem (CID 4183496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).