4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide

C14H11ClN2O4 — CID 789181

IUPAC4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClN2O4/c1-21-13-5-3-2-4-11(13)16-14(18)10-7-6-9(15)8-12(10)17(19)20/h2-8H,1H3,(H,16,18)
InChIKeyTYAITIGIASDDEA-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.51
Rot. Bonds4

About 4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide

4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide (PubChem CID 789181) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
PubChem CID789181
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClN2O4/c1-21-13-5-3-2-4-11(13)16-14(18)10-7-6-9(15)8-12(10)17(19)20/h2-8H,1H3,(H,16,18)
InChIKeyTYAITIGIASDDEA-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

4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide
CID 26877061
N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide
CID 17424735
N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
CID 2833332
4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
CID 24676480
2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 110317070
4-chloro-N-[2-(4-methylanilino)phenyl]-2-nitrobenzamide
CID 108745100
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
N-[2-(2-amino-2-oxoethyl)phenyl]-4-chloro-2-nitrobenzamide
CID 47037281
4-chloro-N-(5-chloro-2-hydroxyphenyl)-2-nitrobenzamide
CID 3863304
5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
CID 56827700
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-nitrobenzamide
CID 26267184
2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide
CID 38112763

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide (CID 789181) is 4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide is COc1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide?
The InChIKey is TYAITIGIASDDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-21-13-5-3-2-4-11(13)16-14(18)10-7-6-9(15)8-12(10)17(19)20/h2-8H,1H3,(H,16,18).
What are the key properties of 4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide?
4-chloro-N-(2-methoxyphenyl)-2-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 4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide is sourced from PubChem (CID 789181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).