N-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide

C19H15FN2O4S — CID 1487122

IUPACN-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C19H15FN2O4S/c1-11-4-3-5-12(2)17(11)21-19(23)18-16(8-9-27-18)26-15-7-6-13(20)10-14(15)22(24)25/h3-10H,1-2H3,(H,21,23)
InChIKeyLNRGHTGTPUYTQU-UHFFFAOYSA-N
MW386.40 g/mol
LogP5.46
Rot. Bonds5

About N-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide

N-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide (PubChem CID 1487122) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide
PubChem CID1487122
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC NameN-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C19H15FN2O4S/c1-11-4-3-5-12(2)17(11)21-19(23)18-16(8-9-27-18)26-15-7-6-13(20)10-14(15)22(24)25/h3-10H,1-2H3,(H,21,23)
InChIKeyLNRGHTGTPUYTQU-UHFFFAOYSA-N
XLogP5.46
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.40
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide
CID 2765194
1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 62368694
1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 62367853
3-[(2-methyl-6-nitrobenzoyl)amino]thiophene-2-carboxylic acid
CID 29060397
N-(2-ethyl-6-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 717977
5-bromo-2-(4-fluoro-2-nitrophenoxy)benzoic acid
CID 104629521
1-chloro-2-(chloromethyl)-3-(4-fluoro-2-nitrophenoxy)benzene
CID 63568398
2-(2-bromo-4-fluorophenoxy)-1-methyl-3-nitrobenzene
CID 115551202
5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 61038190
N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690891
N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide
CID 4594147
(4-fluoro-2-nitrophenyl) N-tert-butylcarbamate
CID 174510281

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide (CID 1487122) is N-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide is Cc1cccc(C)c1NC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide?
The InChIKey is LNRGHTGTPUYTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c1-11-4-3-5-12(2)17(11)21-19(23)18-16(8-9-27-18)26-15-7-6-13(20)10-14(15)22(24)25/h3-10H,1-2H3,(H,21,23).
What are the key properties of N-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide?
N-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(4-fluoro-2-nitrophenoxy)thiophene-2-carboxamide is sourced from PubChem (CID 1487122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).