4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide

C13H12Cl2N2OS — CID 79419893

IUPAC4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NCc2cc(Cl)cs2)c1
InChIInChI=1S/C13H12Cl2N2OS/c1-16-13(18)8-2-3-11(15)12(4-8)17-6-10-5-9(14)7-19-10/h2-5,7,17H,6H2,1H3,(H,16,18)
InChIKeySSLXYFDVTBKIIY-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.03
Rot. Bonds4

About 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide

4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide (PubChem CID 79419893) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
PubChem CID79419893
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NCc2cc(Cl)cs2)c1
InChIInChI=1S/C13H12Cl2N2OS/c1-16-13(18)8-2-3-11(15)12(4-8)17-6-10-5-9(14)7-19-10/h2-5,7,17H,6H2,1H3,(H,16,18)
InChIKeySSLXYFDVTBKIIY-UHFFFAOYSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 79419901
4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 43720922
4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
CID 43720994
2-chloro-N-[(4-chlorothiophen-2-yl)methyl]-5-methylaniline
CID 107631245
N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
CID 79420664
4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide
CID 62345627
3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide
CID 66387552
4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 81147765
4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide
CID 43786064
4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide
CID 43720990
4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
CID 63646037
4-chloro-N-methyl-3-[(5-methyloxolan-2-yl)methylamino]benzamide
CID 82834816

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide (CID 79419893) is 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(NCc2cc(Cl)cs2)c1.
What is the InChIKey of 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide?
The InChIKey is SSLXYFDVTBKIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c1-16-13(18)8-2-3-11(15)12(4-8)17-6-10-5-9(14)7-19-10/h2-5,7,17H,6H2,1H3,(H,16,18).
What are the key properties of 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide?
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide has a molecular weight of 315.23 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 79419893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).