N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide

C15H16Br2N2OS — CID 107959325

IUPACN-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide
SMILESCCCN(Cc1ccccc1N)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C15H16Br2N2OS/c1-2-7-19(9-10-5-3-4-6-12(10)18)15(20)11-8-13(16)21-14(11)17/h3-6,8H,2,7,9,18H2,1H3
InChIKeyLCDDSOSGSQYYBW-UHFFFAOYSA-N
MW432.18 g/mol
LogP4.91
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide

N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide (PubChem CID 107959325) has the molecular formula C15H16Br2N2OS and a molecular weight of 432.18 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide
PubChem CID107959325
Molecular FormulaC15H16Br2N2OS
Molecular Weight432.18 g/mol
Exact Mass429.94
IUPAC NameN-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide
SMILESCCCN(Cc1ccccc1N)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C15H16Br2N2OS/c1-2-7-19(9-10-5-3-4-6-12(10)18)15(20)11-8-13(16)21-14(11)17/h3-6,8H,2,7,9,18H2,1H3
InChIKeyLCDDSOSGSQYYBW-UHFFFAOYSA-N
XLogP4.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.18
LogP ≤ 54.91
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-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide
CID 43459852
N-(2-amino-2-sulfanylideneethyl)-2,5-dibromo-N-propylthiophene-3-carboxamide
CID 114021243
N-[(2-aminophenyl)methyl]-5-iodo-N-propylthiophene-3-carboxamide
CID 79685730
N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide
CID 106683116
N-[(2-aminophenyl)methyl]-3-bromo-N-propylpyridine-2-carboxamide
CID 107516856
2,5-dibromo-N,N-diethylthiophene-3-carboxamide
CID 103672324
2-amino-N,N-dipropylbenzamide
CID 16769117
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide
CID 107966256
N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide
CID 43459851
N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
CID 43459287
N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide
CID 79803210

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide (CID 107959325) is N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide is CCCN(Cc1ccccc1N)C(=O)c1cc(Br)sc1Br.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide?
The InChIKey is LCDDSOSGSQYYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2OS/c1-2-7-19(9-10-5-3-4-6-12(10)18)15(20)11-8-13(16)21-14(11)17/h3-6,8H,2,7,9,18H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide?
N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide has a molecular weight of 432.18 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide is sourced from PubChem (CID 107959325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).