N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide

C16H14ClFN2O5 — CID 18200168

IUPACN-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(Cl)cc2F)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C16H14ClFN2O5/c1-3-25-15-7-10(13(20(22)23)8-14(15)24-2)16(21)19-12-5-4-9(17)6-11(12)18/h4-8H,3H2,1-2H3,(H,19,21)
InChIKeyWCFLJHUKXLXUGT-UHFFFAOYSA-N
MW368.75 g/mol
LogP4.05
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide

N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide (PubChem CID 18200168) has the molecular formula C16H14ClFN2O5 and a molecular weight of 368.75 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
PubChem CID18200168
Molecular FormulaC16H14ClFN2O5
Molecular Weight368.75 g/mol
Exact Mass368.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(Cl)cc2F)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C16H14ClFN2O5/c1-3-25-15-7-10(13(20(22)23)8-14(15)24-2)16(21)19-12-5-4-9(17)6-11(12)18/h4-8H,3H2,1-2H3,(H,19,21)
InChIKeyWCFLJHUKXLXUGT-UHFFFAOYSA-N
XLogP4.05
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.75
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-bromo-2-fluorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 35532466
N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 34136931
N-(2,4-dimethoxyphenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 8927273
N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 34051188
N-(4-acetamido-3-chlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 41305442
N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 26719659
N-[1-(2,4-dichlorophenyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 46654233
5-ethoxy-4-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 42122425
5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide
CID 8530810
N-[(3-chlorophenyl)methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 9402079
methyl 2-[4-[(5-ethoxy-4-methoxy-2-nitrobenzoyl)amino]-3-methylphenoxy]acetate
CID 55916364
4-ethoxy-5-methoxy-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9255470

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide (CID 18200168) is N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide is CCOc1cc(C(=O)Nc2ccc(Cl)cc2F)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide?
The InChIKey is WCFLJHUKXLXUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O5/c1-3-25-15-7-10(13(20(22)23)8-14(15)24-2)16(21)19-12-5-4-9(17)6-11(12)18/h4-8H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide?
N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide has a molecular weight of 368.75 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide is sourced from PubChem (CID 18200168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).