5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide

C13H12BrClN2OS — CID 107354091

IUPAC5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide
SMILESCC(Nc1ccc(Cl)c(C(N)=O)c1)c1cc(Br)cs1
InChIInChI=1S/C13H12BrClN2OS/c1-7(12-4-8(14)6-19-12)17-9-2-3-11(15)10(5-9)13(16)18/h2-7,17H,1H3,(H2,16,18)
InChIKeyYMLOGSPXRXPTFH-UHFFFAOYSA-N
MW359.68 g/mol
LogP4.44
Rot. Bonds4

About 5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide

5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide (PubChem CID 107354091) has the molecular formula C13H12BrClN2OS and a molecular weight of 359.68 g/mol. Its IUPAC name is 5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide.

Molecular Properties

Compound Name5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide
PubChem CID107354091
Molecular FormulaC13H12BrClN2OS
Molecular Weight359.68 g/mol
Exact Mass357.95
IUPAC Name5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide
SMILESCC(Nc1ccc(Cl)c(C(N)=O)c1)c1cc(Br)cs1
InChIInChI=1S/C13H12BrClN2OS/c1-7(12-4-8(14)6-19-12)17-9-2-3-11(15)10(5-9)13(16)18/h2-7,17H,1H3,(H2,16,18)
InChIKeyYMLOGSPXRXPTFH-UHFFFAOYSA-N
XLogP4.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.68
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(5-bromofuran-2-yl)ethylamino]-2-chlorobenzamide
CID 104652478
4-N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 107354291
ethyl N-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]carbamate
CID 107167756
propan-2-yl 4-[1-(4-bromothiophen-2-yl)ethylamino]benzoate
CID 107354022
3-[1-(4-bromothiophen-2-yl)ethylamino]-N-methylbenzamide
CID 107167774
N-[1-(4-bromothiophen-2-yl)ethyl]-4-fluoro-3-methylaniline
CID 107354369
3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide
CID 107167773
5-[(2-bromo-3-methylbutanoyl)amino]-2-chlorobenzamide
CID 43699184
2-chloro-5-(heptan-2-ylamino)benzamide
CID 43713383
5-[1-(4-bromothiophen-2-yl)ethylamino]-2-fluorobenzonitrile
CID 107354351
5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide
CID 43705401
2-chloro-5-(2-methoxypropanoylamino)benzamide
CID 47303789

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide?
The IUPAC name of 5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide (CID 107354091) is 5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide.
What is the SMILES notation for 5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide?
The canonical SMILES for 5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide is CC(Nc1ccc(Cl)c(C(N)=O)c1)c1cc(Br)cs1.
What is the InChIKey of 5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide?
The InChIKey is YMLOGSPXRXPTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2OS/c1-7(12-4-8(14)6-19-12)17-9-2-3-11(15)10(5-9)13(16)18/h2-7,17H,1H3,(H2,16,18).
What are the key properties of 5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide?
5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide has a molecular weight of 359.68 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide is sourced from PubChem (CID 107354091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).