2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide

C17H17ClFN3O3 — CID 16959753

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17ClFN3O3/c1-11-6-7-15(16(8-11)22(24)25)20-17(23)10-21(2)9-12-13(18)4-3-5-14(12)19/h3-8H,9-10H2,1-2H3,(H,20,23)
InChIKeyLQGMYILVGDMJEO-UHFFFAOYSA-N
MW365.79 g/mol
LogP3.77
Rot. Bonds6

About 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 16959753) has the molecular formula C17H17ClFN3O3 and a molecular weight of 365.79 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID16959753
Molecular FormulaC17H17ClFN3O3
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17ClFN3O3/c1-11-6-7-15(16(8-11)22(24)25)20-17(23)10-21(2)9-12-13(18)4-3-5-14(12)19/h3-8H,9-10H2,1-2H3,(H,20,23)
InChIKeyLQGMYILVGDMJEO-UHFFFAOYSA-N
XLogP3.77
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 53.77
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-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4880360
N-(4-bromo-2-chlorophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 24566377
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251343
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2699433
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9197381
N-(2-acetylphenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 9197428
N-(3-acetamidophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 32517503
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9197340
2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 9197047
2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 55868218
N-(4-chloro-2-nitrophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433855

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide (CID 16959753) is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is LQGMYILVGDMJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O3/c1-11-6-7-15(16(8-11)22(24)25)20-17(23)10-21(2)9-12-13(18)4-3-5-14(12)19/h3-8H,9-10H2,1-2H3,(H,20,23).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide?
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 365.79 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 16959753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).