4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide

C14H11ClN2O4 — CID 2842616

IUPAC4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11ClN2O4/c1-21-11-6-7-12(13(8-11)17(19)20)16-14(18)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,18)
InChIKeyKZRYTHSRUPNQFA-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.51
Rot. Bonds4

About 4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide

4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide (PubChem CID 2842616) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
PubChem CID2842616
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11ClN2O4/c1-21-11-6-7-12(13(8-11)17(19)20)16-14(18)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,18)
InChIKeyKZRYTHSRUPNQFA-UHFFFAOYSA-N
XLogP3.51
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide?
The IUPAC name of 4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide (CID 2842616) is 4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide?
The canonical SMILES for 4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide is COc1ccc(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide?
The InChIKey is KZRYTHSRUPNQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-21-11-6-7-12(13(8-11)17(19)20)16-14(18)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,18).
What are the key properties of 4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide?
4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide has a molecular weight of 306.71 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxy-2-nitrophenyl)benzamide is sourced from PubChem (CID 2842616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).