N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide

C18H11ClF2N2O4S — CID 19469689

IUPACN-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(COc2ccc(F)cc2F)cs1
InChIInChI=1S/C18H11ClF2N2O4S/c19-11-1-3-14(15(6-11)23(25)26)22-18(24)17-5-10(9-28-17)8-27-16-4-2-12(20)7-13(16)21/h1-7,9H,8H2,(H,22,24)
InChIKeyWFECLQPHECGMBX-UHFFFAOYSA-N
MW424.81 g/mol
LogP5.42
Rot. Bonds6

About N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide

N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19469689) has the molecular formula C18H11ClF2N2O4S and a molecular weight of 424.81 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19469689
Molecular FormulaC18H11ClF2N2O4S
Molecular Weight424.81 g/mol
Exact Mass424.01
IUPAC NameN-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(COc2ccc(F)cc2F)cs1
InChIInChI=1S/C18H11ClF2N2O4S/c19-11-1-3-14(15(6-11)23(25)26)22-18(24)17-5-10(9-28-17)8-27-16-4-2-12(20)7-13(16)21/h1-7,9H,8H2,(H,22,24)
InChIKeyWFECLQPHECGMBX-UHFFFAOYSA-N
XLogP5.42
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.81
LogP ≤ 55.42
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-(4-chloro-2-nitrophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493194
N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501025
N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501024
N-(2-chloro-5-nitrophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495064
4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19469618
4-[(3-chlorophenoxy)methyl]-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide
CID 19505150
N-(3-chlorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501054
4-[(4-fluoro-2-nitrophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620593
4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 19483536
methyl 2-[[4-[(2,4-difluorophenoxy)methyl]thiophene-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19469703
N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469408
5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
CID 56827700

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide (CID 19469689) is N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(COc2ccc(F)cc2F)cs1.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is WFECLQPHECGMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N2O4S/c19-11-1-3-14(15(6-11)23(25)26)22-18(24)17-5-10(9-28-17)8-27-16-4-2-12(20)7-13(16)21/h1-7,9H,8H2,(H,22,24).
What are the key properties of N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide?
N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 424.81 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19469689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).