5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide

C15H16BrFN2OS — CID 62815438

IUPAC5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide
SMILESCC1=CC(=C(S1)C)C(C)NC(=O)C2=CC(=C(C=C2Br)F)N
InChIInChI=1S/C15H16BrFN2OS/c1-7-4-10(9(3)21-7)8(2)19-15(20)11-5-14(18)13(17)6-12(11)16/h4-6,8H,18H2,1-3H3,(H,19,20)
InChIKeyJJGRANCUMZSKPJ-UHFFFAOYSA-N
MW371.30 g/mol
LogP3.70
Rot. Bonds3

About 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide

5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide (PubChem CID 62815438) has the molecular formula C15H16BrFN2OS and a molecular weight of 371.30 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide
PubChem CID62815438
Molecular FormulaC15H16BrFN2OS
Molecular Weight371.30 g/mol
Exact Mass370.02
IUPAC Name5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide
SMILESCC1=CC(=C(S1)C)C(C)NC(=O)C2=CC(=C(C=C2Br)F)N
InChIInChI=1S/C15H16BrFN2OS/c1-7-4-10(9(3)21-7)8(2)19-15(20)11-5-14(18)13(17)6-12(11)16/h4-6,8H,18H2,1-3H3,(H,19,20)
InChIKeyJJGRANCUMZSKPJ-UHFFFAOYSA-N
XLogP3.70
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity387

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Bromo-3-methyl-phenyl)-N'-{2-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-ethyl}-oxalamide
CID 2300634
5-bromo-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]thiophene-3-carboxamide
CID 39688133
N-[4-bromo-2-fluoro-5-[(4-fluoro-3-methylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 172458247
2-bromo-N-[(5-ethylthiophen-2-yl)methyl]-5-fluorobenzamide
CID 40168473
Cyto4D6
CID 2810425
N-(4-bromo-2-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 9118110
2-Bromo-5-fluoro-N-(1-(thiophen-2-yl)ethyl)benzamide
CID 45849800
3-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24600353
4-bromo-5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide
CID 139302169
N-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 4849305
N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-3-nitrobenzamide
CID 8374164
N-[4-(4-bromo-2-fluoroanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497266

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide (CID 62815438) is 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide is CC1=CC(=C(S1)C)C(C)NC(=O)C2=CC(=C(C=C2Br)F)N.
What is the InChIKey of 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide?
The InChIKey is JJGRANCUMZSKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2OS/c1-7-4-10(9(3)21-7)8(2)19-15(20)11-5-14(18)13(17)6-12(11)16/h4-6,8H,18H2,1-3H3,(H,19,20).
What are the key properties of 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide?
5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide has a molecular weight of 371.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 62815438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).