N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide

C11H8ClFN2OS — CID 107334076

IUPACN-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide
SMILESNc1cc(F)cc(NC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C11H8ClFN2OS/c12-10-2-1-9(17-10)11(16)15-8-4-6(13)3-7(14)5-8/h1-5H,14H2,(H,15,16)
InChIKeyNDSNNUYQICQKTF-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.38
Rot. Bonds2

About N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide

N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide (PubChem CID 107334076) has the molecular formula C11H8ClFN2OS and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide
PubChem CID107334076
Molecular FormulaC11H8ClFN2OS
Molecular Weight270.72 g/mol
Exact Mass270.00
IUPAC NameN-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide
SMILESNc1cc(F)cc(NC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C11H8ClFN2OS/c12-10-2-1-9(17-10)11(16)15-8-4-6(13)3-7(14)5-8/h1-5H,14H2,(H,15,16)
InChIKeyNDSNNUYQICQKTF-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 107333812
N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide
CID 81315290
5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide
CID 82884384
5-bromo-N-(3-chloro-5-fluorophenyl)thiophene-2-carboxamide
CID 103774691
N-(3-amino-5-fluorophenyl)benzamide
CID 107334043
N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide
CID 107333949
4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739
N-(3-amino-5-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 107333935
N-(3-amino-5-fluorophenyl)furan-2-carboxamide
CID 107333848
N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040790
3,5-diamino-N-(3,5-difluorophenyl)benzamide
CID 61091904
5-chloro-N-propan-2-yloxythiophene-2-carboxamide
CID 131162409

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide (CID 107334076) is N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide is Nc1cc(F)cc(NC(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide?
The InChIKey is NDSNNUYQICQKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2OS/c12-10-2-1-9(17-10)11(16)15-8-4-6(13)3-7(14)5-8/h1-5H,14H2,(H,15,16).
What are the key properties of N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide?
N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 107334076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).