N-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide

C15H11ClN4O3 — CID 135416829

IUPACN-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1
InChIInChI=1S/C15H11ClN4O3/c1-8(21)17-10-4-2-9(3-5-10)15-18-12-6-11(16)14(20(22)23)7-13(12)19-15/h2-7H,1H3,(H,17,21)(H,18,19)
InChIKeyQGFAAZRVTUPHHG-UHFFFAOYSA-N
MW330.73 g/mol
LogP3.75
Rot. Bonds3

About N-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide

N-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide (PubChem CID 135416829) has the molecular formula C15H11ClN4O3 and a molecular weight of 330.73 g/mol. Its IUPAC name is N-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide
PubChem CID135416829
Molecular FormulaC15H11ClN4O3
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC NameN-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1
InChIInChI=1S/C15H11ClN4O3/c1-8(21)17-10-4-2-9(3-5-10)15-18-12-6-11(16)14(20(22)23)7-13(12)19-15/h2-7H,1H3,(H,17,21)(H,18,19)
InChIKeyQGFAAZRVTUPHHG-UHFFFAOYSA-N
XLogP3.75
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 53.75
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide (CID 135416829) is N-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1.
What is the InChIKey of N-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide?
The InChIKey is QGFAAZRVTUPHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O3/c1-8(21)17-10-4-2-9(3-5-10)15-18-12-6-11(16)14(20(22)23)7-13(12)19-15/h2-7H,1H3,(H,17,21)(H,18,19).
What are the key properties of N-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide?
N-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide has a molecular weight of 330.73 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-6-nitro-1H-benzimidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 135416829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).