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

C14H14BrClN2OS — CID 102833731

IUPAC4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NCc2cc(Br)c(Cl)s2)c(C)c1
InChIInChI=1S/C14H14BrClN2OS/c1-8-5-9(14(19)17-2)3-4-12(8)18-7-10-6-11(15)13(16)20-10/h3-6,18H,7H2,1-2H3,(H,17,19)
InChIKeyJMALLQVLBXAQHT-UHFFFAOYSA-N
MW373.70 g/mol
LogP4.44
Rot. Bonds4

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

4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide (PubChem CID 102833731) has the molecular formula C14H14BrClN2OS and a molecular weight of 373.70 g/mol. Its IUPAC name is 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide
PubChem CID102833731
Molecular FormulaC14H14BrClN2OS
Molecular Weight373.70 g/mol
Exact Mass371.97
IUPAC Name4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NCc2cc(Br)c(Cl)s2)c(C)c1
InChIInChI=1S/C14H14BrClN2OS/c1-8-5-9(14(19)17-2)3-4-12(8)18-7-10-6-11(15)13(16)20-10/h3-6,18H,7H2,1-2H3,(H,17,19)
InChIKeyJMALLQVLBXAQHT-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]-3-methylbenzoic acid
CID 102833595
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-chloro-2-methylaniline
CID 102830756
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methylbenzoic acid
CID 102833297
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
CID 102833523
4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740131
3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide
CID 43726901
4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide
CID 43740112
methyl 4-[(4,5-dibromothiophen-2-yl)methylamino]-3-methylbenzoate
CID 102833387
4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740076
4-[(2,6-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 78997216
4-[(5-bromothiophen-2-yl)methylamino]-3-methylbenzamide
CID 43706863
4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 43720922

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide (CID 102833731) is 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NCc2cc(Br)c(Cl)s2)c(C)c1.
What is the InChIKey of 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide?
The InChIKey is JMALLQVLBXAQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2OS/c1-8-5-9(14(19)17-2)3-4-12(8)18-7-10-6-11(15)13(16)20-10/h3-6,18H,7H2,1-2H3,(H,17,19).
What are the key properties of 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide?
4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-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 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide is sourced from PubChem (CID 102833731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).