3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide

C14H14BrClN2OS — CID 102833523

IUPAC3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NCc2cc(Br)c(Cl)s2)c1C
InChIInChI=1S/C14H14BrClN2OS/c1-8-10(14(19)17-2)4-3-5-12(8)18-7-9-6-11(15)13(16)20-9/h3-6,18H,7H2,1-2H3,(H,17,19)
InChIKeyAANMKWXZFSIBEP-UHFFFAOYSA-N
MW373.70 g/mol
LogP4.44
Rot. Bonds4

About 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide

3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide (PubChem CID 102833523) has the molecular formula C14H14BrClN2OS and a molecular weight of 373.70 g/mol. Its IUPAC name is 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
PubChem CID102833523
Molecular FormulaC14H14BrClN2OS
Molecular Weight373.70 g/mol
Exact Mass371.97
IUPAC Name3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NCc2cc(Br)c(Cl)s2)c1C
InChIInChI=1S/C14H14BrClN2OS/c1-8-10(14(19)17-2)4-3-5-12(8)18-7-9-6-11(15)13(16)20-9/h3-6,18H,7H2,1-2H3,(H,17,19)
InChIKeyAANMKWXZFSIBEP-UHFFFAOYSA-N
XLogP4.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.70
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide
CID 102833731
3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
CID 115380075
3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
CID 104853999
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine
CID 102830047
3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
CID 62345277
3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide
CID 43734564
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methylbenzoic acid
CID 102833297
4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 102833595
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-chloro-2-methylaniline
CID 102830756
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline
CID 102832325
N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688065
2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 43694008

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide (CID 102833523) is 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NCc2cc(Br)c(Cl)s2)c1C.
What is the InChIKey of 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide?
The InChIKey is AANMKWXZFSIBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2OS/c1-8-10(14(19)17-2)4-3-5-12(8)18-7-9-6-11(15)13(16)20-9/h3-6,18H,7H2,1-2H3,(H,17,19).
What are the key properties of 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide?
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide has a molecular weight of 373.70 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 3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide is sourced from PubChem (CID 102833523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).