N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide

C15H13FN2O4 — CID 78788740

IUPACN-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1
InChIInChI=1S/C15H13FN2O4/c1-22-9-10-2-4-11(5-3-10)15(19)17-14-8-12(18(20)21)6-7-13(14)16/h2-8H,9H2,1H3,(H,17,19)
InChIKeyMWHZWWZMDXDVRK-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.13
Rot. Bonds5

About N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide

N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide (PubChem CID 78788740) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide
PubChem CID78788740
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC NameN-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1
InChIInChI=1S/C15H13FN2O4/c1-22-9-10-2-4-11(5-3-10)15(19)17-14-8-12(18(20)21)6-7-13(14)16/h2-8H,9H2,1H3,(H,17,19)
InChIKeyMWHZWWZMDXDVRK-UHFFFAOYSA-N
XLogP3.13
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.13
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-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 3342317
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide
CID 23877677
N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
CID 134044498
N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952710
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9064816
N-(2-fluoro-5-nitrophenyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 55363324
N-(2-fluoro-5-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 18267838
4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 60599278
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1300799
6-amino-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 62155644

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide (CID 78788740) is N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide?
The InChIKey is MWHZWWZMDXDVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-22-9-10-2-4-11(5-3-10)15(19)17-14-8-12(18(20)21)6-7-13(14)16/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide?
N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide has a molecular weight of 304.28 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide is sourced from PubChem (CID 78788740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).