N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide

C11H7ClN2O3S — CID 768178

IUPACN-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C11H7ClN2O3S/c12-8-4-3-7(6-9(8)14(16)17)13-11(15)10-2-1-5-18-10/h1-6H,(H,13,15)
InChIKeyPVZLIOSIGJZZJX-UHFFFAOYSA-N
MW282.71 g/mol
LogP3.56
Rot. Bonds3

About N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide

N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide (PubChem CID 768178) has the molecular formula C11H7ClN2O3S and a molecular weight of 282.71 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide
PubChem CID768178
Molecular FormulaC11H7ClN2O3S
Molecular Weight282.71 g/mol
Exact Mass281.99
IUPAC NameN-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C11H7ClN2O3S/c12-8-4-3-7(6-9(8)14(16)17)13-11(15)10-2-1-5-18-10/h1-6H,(H,13,15)
InChIKeyPVZLIOSIGJZZJX-UHFFFAOYSA-N
XLogP3.56
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-chloro-3-nitrophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60527960
N-(3,4-dinitrophenyl)thiophene-2-carboxamide
CID 86673965
2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide
CID 115286307
N-(4-chloro-3-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224058
N-(4-chloro-3-nitrophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55363367
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 103221361
N-(4-chloro-3-nitrophenyl)-N'-(2,3-dichlorophenyl)oxamide
CID 108500702
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide (CID 768178) is N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide?
The InChIKey is PVZLIOSIGJZZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3S/c12-8-4-3-7(6-9(8)14(16)17)13-11(15)10-2-1-5-18-10/h1-6H,(H,13,15).
What are the key properties of N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide?
N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide has a molecular weight of 282.71 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 768178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).