N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide

C19H15FN2O4S — CID 19501024

IUPACN-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(COc2ccccc2[N+](=O)[O-])cs1
InChIInChI=1S/C19H15FN2O4S/c1-12-8-14(20)6-7-15(12)21-19(23)18-9-13(11-27-18)10-26-17-5-3-2-4-16(17)22(24)25/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeyNZPGYORHFHLCNU-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.94
Rot. Bonds6

About N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide

N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19501024) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19501024
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC NameN-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(COc2ccccc2[N+](=O)[O-])cs1
InChIInChI=1S/C19H15FN2O4S/c1-12-8-14(20)6-7-15(12)21-19(23)18-9-13(11-27-18)10-26-17-5-3-2-4-16(17)22(24)25/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeyNZPGYORHFHLCNU-UHFFFAOYSA-N
XLogP4.94
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.94
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-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501025
4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 19483536
N-(1-ethyl-3-methylpyrazol-4-yl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501098
N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469689
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
N-(3-chlorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501054
4-[(4-fluoro-2-nitrophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620593
N-(4-chloro-2-nitrophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493194
4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19469618
N-(2-chloro-5-nitrophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495064
N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498796

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide (CID 19501024) is N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide is Cc1cc(F)ccc1NC(=O)c1cc(COc2ccccc2[N+](=O)[O-])cs1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is NZPGYORHFHLCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c1-12-8-14(20)6-7-15(12)21-19(23)18-9-13(11-27-18)10-26-17-5-3-2-4-16(17)22(24)25/h2-9,11H,10H2,1H3,(H,21,23).
What are the key properties of N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide?
N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19501024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).