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

C15H15BrN2OS — CID 43460891

IUPACN-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide
SMILESNc1ccccc1CN(C(=O)c1ccc(Br)s1)C1CC1
InChIInChI=1S/C15H15BrN2OS/c16-14-8-7-13(20-14)15(19)18(11-5-6-11)9-10-3-1-2-4-12(10)17/h1-4,7-8,11H,5-6,9,17H2
InChIKeyHKVVJRCOELOPOH-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.90
Rot. Bonds4

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

N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide (PubChem CID 43460891) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide
PubChem CID43460891
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC NameN-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide
SMILESNc1ccccc1CN(C(=O)c1ccc(Br)s1)C1CC1
InChIInChI=1S/C15H15BrN2OS/c16-14-8-7-13(20-14)15(19)18(11-5-6-11)9-10-3-1-2-4-12(10)17/h1-4,7-8,11H,5-6,9,17H2
InChIKeyHKVVJRCOELOPOH-UHFFFAOYSA-N
XLogP3.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.90
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]-N-cyclopropyl-2-fluorobenzamide
CID 43460915
N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide
CID 43460874
2-[[(5-bromothiophen-2-yl)methyl-cyclopropylamino]methyl]aniline
CID 43461005
N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
CID 102921257
N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 65214178
N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide
CID 79111791
5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
CID 106626893
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
CID 43460892
5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide
CID 80659510
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide
CID 55102715
5-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113221746

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide (CID 43460891) is N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide is Nc1ccccc1CN(C(=O)c1ccc(Br)s1)C1CC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is HKVVJRCOELOPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c16-14-8-7-13(20-14)15(19)18(11-5-6-11)9-10-3-1-2-4-12(10)17/h1-4,7-8,11H,5-6,9,17H2.
What are the key properties of N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide?
N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 351.27 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 43460891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).