5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide

C14H10ClFN2O4 — CID 56827700

IUPAC5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClFN2O4/c1-22-13-5-2-8(15)6-10(13)14(19)17-11-4-3-9(16)7-12(11)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyNLTZUBPXLCILRA-UHFFFAOYSA-N
MW324.70 g/mol
LogP3.65
Rot. Bonds4

About 5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide

5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide (PubChem CID 56827700) has the molecular formula C14H10ClFN2O4 and a molecular weight of 324.70 g/mol. Its IUPAC name is 5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
PubChem CID56827700
Molecular FormulaC14H10ClFN2O4
Molecular Weight324.70 g/mol
Exact Mass324.03
IUPAC Name5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClFN2O4/c1-22-13-5-2-8(15)6-10(13)14(19)17-11-4-3-9(16)7-12(11)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyNLTZUBPXLCILRA-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

5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-methoxybenzamide
CID 2933842
methyl 5-chloro-2-(4-fluoro-2-nitroanilino)benzoate
CID 151968543
N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
CID 2833332
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257773
5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 8866239
5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 31121389
4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide
CID 26681382
4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
N-[2-[(5-chloro-2-methoxybenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834271
N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide
CID 4594147
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide (CID 56827700) is 5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide?
The InChIKey is NLTZUBPXLCILRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O4/c1-22-13-5-2-8(15)6-10(13)14(19)17-11-4-3-9(16)7-12(11)18(20)21/h2-7H,1H3,(H,17,19).
What are the key properties of 5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide?
5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide 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 5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide is sourced from PubChem (CID 56827700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).