N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide

C11H6ClIN2O3S — CID 78948733

IUPACN-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1csc(I)c1
InChIInChI=1S/C11H6ClIN2O3S/c12-8-4-7(1-2-9(8)15(17)18)14-11(16)6-3-10(13)19-5-6/h1-5H,(H,14,16)
InChIKeyZMKYPABPMAFAKU-UHFFFAOYSA-N
MW408.60 g/mol
LogP4.17
Rot. Bonds3

About N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide

N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide (PubChem CID 78948733) has the molecular formula C11H6ClIN2O3S and a molecular weight of 408.60 g/mol. Its IUPAC name is N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide
PubChem CID78948733
Molecular FormulaC11H6ClIN2O3S
Molecular Weight408.60 g/mol
Exact Mass407.88
IUPAC NameN-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1csc(I)c1
InChIInChI=1S/C11H6ClIN2O3S/c12-8-4-7(1-2-9(8)15(17)18)14-11(16)6-3-10(13)19-5-6/h1-5H,(H,14,16)
InChIKeyZMKYPABPMAFAKU-UHFFFAOYSA-N
XLogP4.17
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.60
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 82864413
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
CID 107980537
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide
CID 107999621
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
N-(3-chloro-4-ethoxyphenyl)-5-iodothiophene-3-carboxamide
CID 78948622
N-(4,5-dimethyl-2-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 79692955
3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide
CID 62680652
N-(2,4-dimethyl-5-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 115618087
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
N-(3-chloro-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 78962697

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide (CID 78948733) is N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1csc(I)c1.
What is the InChIKey of N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide?
The InChIKey is ZMKYPABPMAFAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClIN2O3S/c12-8-4-7(1-2-9(8)15(17)18)14-11(16)6-3-10(13)19-5-6/h1-5H,(H,14,16).
What are the key properties of N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide?
N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide has a molecular weight of 408.60 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-nitrophenyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78948733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).