N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide

C15H13ClN2O4 — CID 2931673

IUPACN-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H13ClN2O4/c1-2-22-14-6-4-3-5-11(14)15(19)17-13-8-7-10(18(20)21)9-12(13)16/h3-9H,2H2,1H3,(H,17,19)
InChIKeyCFSWNFYJKIPJHL-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.90
Rot. Bonds5

About N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide

N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide (PubChem CID 2931673) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide
PubChem CID2931673
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H13ClN2O4/c1-2-22-14-6-4-3-5-11(14)15(19)17-13-8-7-10(18(20)21)9-12(13)16/h3-9H,2H2,1H3,(H,17,19)
InChIKeyCFSWNFYJKIPJHL-UHFFFAOYSA-N
XLogP3.90
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.90
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-[(2-chloro-4-nitrophenyl)carbamothioyl]-2-hexoxybenzamide
CID 4942754
3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide
CID 2977495
2-chloro-N-[2-(4-ethoxyphenoxy)phenyl]-4-nitrobenzamide
CID 8873797
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4556792
2-chloro-N-(2-hexoxyphenyl)-5-nitrobenzamide
CID 130176588
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-methoxybenzoate
CID 40565879
2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide
CID 41262664
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
2-(2-amino-2-oxoethoxy)-N-(2-methyl-5-nitrophenyl)benzamide
CID 34795494
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8956882

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide (CID 2931673) is N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide?
The InChIKey is CFSWNFYJKIPJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-2-22-14-6-4-3-5-11(14)15(19)17-13-8-7-10(18(20)21)9-12(13)16/h3-9H,2H2,1H3,(H,17,19).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide?
N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide has a molecular weight of 320.73 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide is sourced from PubChem (CID 2931673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).