2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide

C16H16F4N2O3 — CID 171620115

IUPAC2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide
SMILESC=C(C)/C=C(\N(C)C(=O)Cc1cc(C)c([N+](=O)[O-])cc1F)C(F)(F)F
InChIInChI=1S/C16H16F4N2O3/c1-9(2)5-14(16(18,19)20)21(4)15(23)7-11-6-10(3)13(22(24)25)8-12(11)17/h5-6,8H,1,7H2,2-4H3/b14-5-
InChIKeyRZVQQJHOCWZZNT-RZNTYIFUSA-N
MW360.31 g/mol
LogP4.07
Rot. Bonds5

About 2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide

2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide (PubChem CID 171620115) has the molecular formula C16H16F4N2O3 and a molecular weight of 360.31 g/mol. Its IUPAC name is 2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide
PubChem CID171620115
Molecular FormulaC16H16F4N2O3
Molecular Weight360.31 g/mol
Exact Mass360.11
IUPAC Name2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide
SMILESC=C(C)/C=C(\N(C)C(=O)Cc1cc(C)c([N+](=O)[O-])cc1F)C(F)(F)F
InChIInChI=1S/C16H16F4N2O3/c1-9(2)5-14(16(18,19)20)21(4)15(23)7-11-6-10(3)13(22(24)25)8-12(11)17/h5-6,8H,1,7H2,2-4H3/b14-5-
InChIKeyRZVQQJHOCWZZNT-RZNTYIFUSA-N
XLogP4.07
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-2-fluoro-5-methyl-4-nitrobenzene
CID 67175932
(2-fluoro-4-methyl-5-nitrophenyl)methanamine
CID 131056315
2-fluoro-5-methyl-4-nitrobenzamide
CID 130894297
ethyl 2-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]prop-2-enoate
CID 114416265
1-(3-methyl-4-nitrophenyl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]propan-2-imine
CID 89097762
1-fluoro-4-methyl-5-nitro-2-(trifluoromethoxy)benzene
CID 134628194
2-(5-bromo-2-fluoro-4-nitrophenyl)acetic acid
CID 90489680
2,2,2-trifluoro-N-(4-fluoro-2,5-dinitrophenyl)-N-propylacetamide
CID 86695968
methyl 2-fluoro-5-methyl-4-nitrobenzoate
CID 134648424
2-(2-fluoro-4-methyl-5-nitrophenyl)acetonitrile
CID 130968367
2-(2-fluoro-5-methyl-4-nitrophenoxy)acetic acid
CID 114416258
ethyl 2-(2-chloro-5-methyl-4-nitrophenyl)acetate
CID 15892658

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide?
The IUPAC name of 2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide (CID 171620115) is 2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide.
What is the SMILES notation for 2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide?
The canonical SMILES for 2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide is C=C(C)/C=C(\N(C)C(=O)Cc1cc(C)c([N+](=O)[O-])cc1F)C(F)(F)F.
What is the InChIKey of 2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide?
The InChIKey is RZVQQJHOCWZZNT-RZNTYIFUSA-N. The full InChI is InChI=1S/C16H16F4N2O3/c1-9(2)5-14(16(18,19)20)21(4)15(23)7-11-6-10(3)13(22(24)25)8-12(11)17/h5-6,8H,1,7H2,2-4H3/b14-5-.
What are the key properties of 2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide?
2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide has a molecular weight of 360.31 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methyl-4-nitrophenyl)-N-methyl-N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]acetamide is sourced from PubChem (CID 171620115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).