N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide

C16H14Cl2N2O4 — CID 9269435

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O4/c1-24-15-5-4-12(20(22)23)9-13(15)16(21)19-7-6-10-2-3-11(17)8-14(10)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeyCCBCGPJJIGZRAO-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.88
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide (PubChem CID 9269435) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
PubChem CID9269435
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O4/c1-24-15-5-4-12(20(22)23)9-13(15)16(21)19-7-6-10-2-3-11(17)8-14(10)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeyCCBCGPJJIGZRAO-UHFFFAOYSA-N
XLogP3.88
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.88
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

2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide
CID 46483761
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501
N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 9209754
5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide
CID 10689023
N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide
CID 60599919
N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide
CID 113238601
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9268719
N-[3-[2-(2,4-dichlorophenyl)ethylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9246410
2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 30889614
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
2-methoxy-5-nitro-N-prop-2-ynylbenzamide
CID 18110111

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide (CID 9269435) is N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide?
The InChIKey is CCBCGPJJIGZRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c1-24-15-5-4-12(20(22)23)9-13(15)16(21)19-7-6-10-2-3-11(17)8-14(10)18/h2-5,8-9H,6-7H2,1H3,(H,19,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide has a molecular weight of 369.20 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 9269435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).