N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide

C17H18FN3O4 — CID 26721757

IUPACN-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCOCCNc1ccc(C(=O)Nc2cc(F)ccc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18FN3O4/c1-11-3-5-13(18)10-15(11)20-17(22)12-4-6-14(19-7-8-25-2)16(9-12)21(23)24/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)
InChIKeyVMTNOCFFYYJFJT-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.35
Rot. Bonds7

About N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide

N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide (PubChem CID 26721757) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
PubChem CID26721757
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCOCCNc1ccc(C(=O)Nc2cc(F)ccc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18FN3O4/c1-11-3-5-13(18)10-15(11)20-17(22)12-4-6-14(19-7-8-25-2)16(9-12)21(23)24/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)
InChIKeyVMTNOCFFYYJFJT-UHFFFAOYSA-N
XLogP3.35
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27825616
N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826267
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
N-(3-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826592
N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 9399328
4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide
CID 27826692
N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 18169069
[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-[4-(2-methoxyethylamino)-3-nitrophenyl]methanone
CID 55879029
4-(2-methoxyethylamino)-3-nitro-N-prop-2-ynylbenzamide
CID 18110138
ethyl 5-[[4-(2-methoxyethylamino)-3-nitrobenzoyl]amino]-3-methylthiophene-2-carboxylate
CID 55394027
N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
CID 26363954
N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 55957393

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide (CID 26721757) is N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide is COCCNc1ccc(C(=O)Nc2cc(F)ccc2C)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
The InChIKey is VMTNOCFFYYJFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-11-3-5-13(18)10-15(11)20-17(22)12-4-6-14(19-7-8-25-2)16(9-12)21(23)24/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide?
N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide has a molecular weight of 347.35 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide is sourced from PubChem (CID 26721757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).