3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide

C15H15BrN2OS — CID 61107791

IUPAC3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
SMILESNc1cc(C(=O)N(Cc2cccs2)C2CC2)ccc1Br
InChIInChI=1S/C15H15BrN2OS/c16-13-6-3-10(8-14(13)17)15(19)18(11-4-5-11)9-12-2-1-7-20-12/h1-3,6-8,11H,4-5,9,17H2
InChIKeyFTNUGMALFUPMDO-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.90
Rot. Bonds4

About 3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide

3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 61107791) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID61107791
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
SMILESNc1cc(C(=O)N(Cc2cccs2)C2CC2)ccc1Br
InChIInChI=1S/C15H15BrN2OS/c16-13-6-3-10(8-14(13)17)15(19)18(11-4-5-11)9-12-2-1-7-20-12/h1-3,6-8,11H,4-5,9,17H2
InChIKeyFTNUGMALFUPMDO-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

3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61106307
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024795
3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 61095056
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 37484481
3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide
CID 61093192
N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55581078
N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62242780
N-cyclopropyl-4-methyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 37484000
6-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 62186849

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide (CID 61107791) is 3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide is Nc1cc(C(=O)N(Cc2cccs2)C2CC2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is FTNUGMALFUPMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c16-13-6-3-10(8-14(13)17)15(19)18(11-4-5-11)9-12-2-1-7-20-12/h1-3,6-8,11H,4-5,9,17H2.
What are the key properties of 3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide 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 3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 61107791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).