3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide

C16H14Cl2N2O4 — CID 55924817

IUPAC3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)NC(C)c2cccc([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O4/c1-9(10-4-3-5-12(6-10)20(22)23)19-16(21)11-7-13(17)15(24-2)14(18)8-11/h3-9H,1-2H3,(H,19,21)
InChIKeyKLXNBNXILDLILV-UHFFFAOYSA-N
MW369.20 g/mol
LogP4.40
Rot. Bonds5

About 3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide

3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide (PubChem CID 55924817) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide
PubChem CID55924817
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)NC(C)c2cccc([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O4/c1-9(10-4-3-5-12(6-10)20(22)23)19-16(21)11-7-13(17)15(24-2)14(18)8-11/h3-9H,1-2H3,(H,19,21)
InChIKeyKLXNBNXILDLILV-UHFFFAOYSA-N
XLogP4.40
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 54.40
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

3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034
2,3,4-trimethoxy-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55878127
N-[1-(3-chlorophenyl)ethyl]-3,5-dinitrobenzamide
CID 78773557
4-iodo-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 61062545
N-[1-(3-nitrophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 54867729
5-bromo-N-[1-(3-nitrophenyl)ethyl]thiophene-3-carboxamide
CID 47267855
N-[1-(3-bromophenyl)ethyl]-3-chloro-4,5-dimethoxybenzamide
CID 43059210
3-(dimethylsulfamoyl)-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55876850
6-chloro-N-[1-(3-nitrophenyl)ethyl]pyrazine-2-carboxamide
CID 103187129
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-nitrobenzamide
CID 55653730
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,5-dinitrobenzamide
CID 7034969
2-iodo-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 61062698

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide (CID 55924817) is 3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide is COc1c(Cl)cc(C(=O)NC(C)c2cccc([N+](=O)[O-])c2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide?
The InChIKey is KLXNBNXILDLILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c1-9(10-4-3-5-12(6-10)20(22)23)19-16(21)11-7-13(17)15(24-2)14(18)8-11/h3-9H,1-2H3,(H,19,21).
What are the key properties of 3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide?
3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide has a molecular weight of 369.20 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 55924817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).