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

C17H18FN3O4 — CID 16963170

IUPACN-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
SMILESCOCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C17H18FN3O4/c1-11-3-5-14(18)16(9-11)20-17(22)13-10-12(21(23)24)4-6-15(13)19-7-8-25-2/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)
InChIKeyHWLFTCGEKSHPDB-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.35
Rot. Bonds7

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

N-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide (PubChem CID 16963170) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
PubChem CID16963170
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
SMILESCOCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C17H18FN3O4/c1-11-3-5-14(18)16(9-11)20-17(22)13-10-12(21(23)24)4-6-15(13)19-7-8-25-2/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22)
InChIKeyHWLFTCGEKSHPDB-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

2-(2-methoxyethylamino)-5-nitrobenzamide
CID 2960673
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
N-(4-cyanophenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963092
2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 16963101
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963254
N-(2,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16962982
2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963156
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 60594295
2-(2-methoxyethylamino)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 16963194
5-chloro-2-(ethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 62166155
2-(2-methoxyethylamino)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-nitrobenzamide
CID 16963205

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide (CID 16963170) is N-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide is COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)ccc1F.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide?
The InChIKey is HWLFTCGEKSHPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-11-3-5-14(18)16(9-11)20-17(22)13-10-12(21(23)24)4-6-15(13)19-7-8-25-2/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide?
N-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-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-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide is sourced from PubChem (CID 16963170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).