N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

C18H20FN3O3 — CID 8676685

IUPACN-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CN(C)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C18H20FN3O3/c1-12-4-9-16(22(24)25)18(13(12)2)20-17(23)11-21(3)10-14-5-7-15(19)8-6-14/h4-9H,10-11H2,1-3H3,(H,20,23)
InChIKeyJEDWRLQIVXWOAH-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.42
Rot. Bonds6

About N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 8676685) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
PubChem CID8676685
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)CN(C)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C18H20FN3O3/c1-12-4-9-16(22(24)25)18(13(12)2)20-17(23)11-21(3)10-14-5-7-15(19)8-6-14/h4-9H,10-11H2,1-3H3,(H,20,23)
InChIKeyJEDWRLQIVXWOAH-UHFFFAOYSA-N
XLogP3.42
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.42
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

2-[(4-chlorophenyl)methyl-methylamino]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 8709670
N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054887
N-(2,3-dimethyl-6-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 8710505
N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677413
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 9252111
N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide
CID 16769548
N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9123048
N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2451655
N-(2,3-dimethyl-6-nitrophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465847
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 9251378
N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide
CID 9251811
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8964424

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (CID 8676685) is N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)Cc2ccc(F)cc2)c1C.
What is the InChIKey of N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is JEDWRLQIVXWOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-4-9-16(22(24)25)18(13(12)2)20-17(23)11-21(3)10-14-5-7-15(19)8-6-14/h4-9H,10-11H2,1-3H3,(H,20,23).
What are the key properties of N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 345.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8676685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).