N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide

C14H15BrN2OS — CID 43458976

IUPACN-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C14H15BrN2OS/c1-2-17(9-10-4-3-5-11(16)8-10)14(18)12-6-7-13(15)19-12/h3-8H,2,9,16H2,1H3
InChIKeyHELBNCIEUIZMNN-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.76
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide

N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide (PubChem CID 43458976) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide
PubChem CID43458976
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC NameN-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C14H15BrN2OS/c1-2-17(9-10-4-3-5-11(16)8-10)14(18)12-6-7-13(15)19-12/h3-8H,2,9,16H2,1H3
InChIKeyHELBNCIEUIZMNN-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61105975
N-[(3-aminophenyl)methyl]-N-ethylpyrimidine-5-carboxamide
CID 102921247
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 60653697
N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458950
N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide
CID 43458956
N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide
CID 43458689
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide (CID 43458976) is N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide is CCN(Cc1cccc(N)c1)C(=O)c1ccc(Br)s1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide?
The InChIKey is HELBNCIEUIZMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-2-17(9-10-4-3-5-11(16)8-10)14(18)12-6-7-13(15)19-12/h3-8H,2,9,16H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide?
N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide has a molecular weight of 339.26 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 43458976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).