N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide

C11H8Cl2N2OS — CID 80645311

IUPACN-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide
SMILESNc1cc(NC(=O)c2sccc2Cl)ccc1Cl
InChIInChI=1S/C11H8Cl2N2OS/c12-7-2-1-6(5-9(7)14)15-11(16)10-8(13)3-4-17-10/h1-5H,14H2,(H,15,16)
InChIKeyNRBXMUHAWSOTAN-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.89
Rot. Bonds2

About N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide

N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide (PubChem CID 80645311) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide
PubChem CID80645311
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC NameN-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide
SMILESNc1cc(NC(=O)c2sccc2Cl)ccc1Cl
InChIInChI=1S/C11H8Cl2N2OS/c12-7-2-1-6(5-9(7)14)15-11(16)10-8(13)3-4-17-10/h1-5H,14H2,(H,15,16)
InChIKeyNRBXMUHAWSOTAN-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.89
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-4-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644063
N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524
N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644262
3-amino-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 61092440
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358
N-(3-amino-4-pyridinyl)-3-chlorothiophene-2-carboxamide
CID 80644738
3-chloro-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 80641291
N-(3-amino-4-chlorophenyl)-2,6-dihydroxybenzamide
CID 107687543
N-carbamoyl-3-chlorothiophene-2-carboxamide
CID 80642165
3-(3-amino-4-chlorophenyl)-1,1-dimethylurea
CID 79154275
N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
CID 107999858
N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide
CID 107721355

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide (CID 80645311) is N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide is Nc1cc(NC(=O)c2sccc2Cl)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide?
The InChIKey is NRBXMUHAWSOTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c12-7-2-1-6(5-9(7)14)15-11(16)10-8(13)3-4-17-10/h1-5H,14H2,(H,15,16).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide?
N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide has a molecular weight of 287.17 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide is sourced from PubChem (CID 80645311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).