N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide

C14H11ClN2O4 — CID 9043665

IUPACN-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O4/c1-21-13-7-6-11(17(19)20)8-12(13)14(18)16-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,16,18)
InChIKeyKRILPABJQKJIGZ-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.51
Rot. Bonds4

About N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide

N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide (PubChem CID 9043665) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
PubChem CID9043665
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC NameN-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O4/c1-21-13-7-6-11(17(19)20)8-12(13)14(18)16-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,16,18)
InChIKeyKRILPABJQKJIGZ-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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Related Compounds

N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide
CID 60606316
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588
N-[4-(diethylamino)phenyl]-2-methoxy-5-nitrobenzamide
CID 46410238
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide
CID 5154255
N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide
CID 139678187
5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide
CID 139678197
N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
CID 9376413
2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 141452154
2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide
CID 9106447
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide (CID 9043665) is N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide?
The InChIKey is KRILPABJQKJIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-21-13-7-6-11(17(19)20)8-12(13)14(18)16-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,16,18).
What are the key properties of N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide?
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide 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 N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 9043665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).