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

C14H14Cl2N2OS — CID 79419901

IUPAC4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NCc2cc(Cl)cs2)c1
InChIInChI=1S/C14H14Cl2N2OS/c1-18(2)14(19)9-3-4-12(16)13(5-9)17-7-11-6-10(15)8-20-11/h3-6,8,17H,7H2,1-2H3
InChIKeyIUTLKPIJOOSLDJ-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.37
Rot. Bonds4

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

4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 79419901) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID79419901
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC Name4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NCc2cc(Cl)cs2)c1
InChIInChI=1S/C14H14Cl2N2OS/c1-18(2)14(19)9-3-4-12(16)13(5-9)17-7-11-6-10(15)8-20-11/h3-6,8,17H,7H2,1-2H3
InChIKeyIUTLKPIJOOSLDJ-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 79419893
4-chloro-3-[(3-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738770
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-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide
CID 43738745
4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738724
4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
CID 43738706
3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 61265397
4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide
CID 43738776
4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
CID 63361091
4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide
CID 116503809

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide (CID 79419901) is 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)c(NCc2cc(Cl)cs2)c1.
What is the InChIKey of 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is IUTLKPIJOOSLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-18(2)14(19)9-3-4-12(16)13(5-9)17-7-11-6-10(15)8-20-11/h3-6,8,17H,7H2,1-2H3.
What are the key properties of 4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide?
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 329.25 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 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,N-dimethylbenzamide is sourced from PubChem (CID 79419901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).