N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide

C14H10ClFN2O4 — CID 51145763

IUPACN-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClFN2O4/c1-22-12-6-5-8(7-11(12)18(20)21)14(19)17-10-4-2-3-9(15)13(10)16/h2-7H,1H3,(H,17,19)
InChIKeyXPYPERDPTCNYTK-UHFFFAOYSA-N
MW324.70 g/mol
LogP3.65
Rot. Bonds4

About N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide

N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide (PubChem CID 51145763) has the molecular formula C14H10ClFN2O4 and a molecular weight of 324.70 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide
PubChem CID51145763
Molecular FormulaC14H10ClFN2O4
Molecular Weight324.70 g/mol
Exact Mass324.03
IUPAC NameN-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClFN2O4/c1-22-12-6-5-8(7-11(12)18(20)21)14(19)17-10-4-2-3-9(15)13(10)16/h2-7H,1H3,(H,17,19)
InChIKeyXPYPERDPTCNYTK-UHFFFAOYSA-N
XLogP3.65
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.70
LogP ≤ 53.65
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-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide
CID 60628960
1-N,3-N-bis(2-fluoro-3-nitrophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157410
N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711542
N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
CID 7948545
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452
N-isoquinolin-5-yl-4-methoxy-3-nitrobenzamide
CID 8763192
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
3-chloro-2-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]aniline
CID 28969175
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide
CID 19285650
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxy-3-nitrobenzamide
CID 19410376
4,5-dimethoxy-2-[(4-methoxy-3-nitrobenzoyl)amino]benzoic acid
CID 1260419
4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide
CID 55776443

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide (CID 51145763) is N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1[N+](=O)[O-].
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide?
The InChIKey is XPYPERDPTCNYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O4/c1-22-12-6-5-8(7-11(12)18(20)21)14(19)17-10-4-2-3-9(15)13(10)16/h2-7H,1H3,(H,17,19).
What are the key properties of N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide?
N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide has a molecular weight of 324.70 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 51145763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).