2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone

C13H11Cl2NOS — CID 152710576

IUPAC2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone
SMILESO=C(CNCc1ccc(Cl)cc1)c1sccc1Cl
InChIInChI=1S/C13H11Cl2NOS/c14-10-3-1-9(2-4-10)7-16-8-12(17)13-11(15)5-6-18-13/h1-6,16H,7-8H2
InChIKeyFMODDSJDZJVHFN-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.03
Rot. Bonds5

About 2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone

2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone (PubChem CID 152710576) has the molecular formula C13H11Cl2NOS and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone
PubChem CID152710576
Molecular FormulaC13H11Cl2NOS
Molecular Weight300.21 g/mol
Exact Mass298.99
IUPAC Name2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone
SMILESO=C(CNCc1ccc(Cl)cc1)c1sccc1Cl
InChIInChI=1S/C13H11Cl2NOS/c14-10-3-1-9(2-4-10)7-16-8-12(17)13-11(15)5-6-18-13/h1-6,16H,7-8H2
InChIKeyFMODDSJDZJVHFN-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone
CID 107361494
1-(3-chlorothiophen-2-yl)-2-(cyclopropylmethylamino)ethanone
CID 107361387
4-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]benzoic acid
CID 82104497
2-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)ethanone
CID 82101505
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 82104492
2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 82101686
1-(3-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 80529728
1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethanone
CID 80530028
1-(3-chlorothiophen-2-yl)-2-methylsulfanylethanone
CID 80645182
ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate
CID 23033394
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998149
1-(3-chlorothiophen-2-yl)-2-cycloheptylethanone
CID 114457393

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone (CID 152710576) is 2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone is O=C(CNCc1ccc(Cl)cc1)c1sccc1Cl.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone?
The InChIKey is FMODDSJDZJVHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NOS/c14-10-3-1-9(2-4-10)7-16-8-12(17)13-11(15)5-6-18-13/h1-6,16H,7-8H2.
What are the key properties of 2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone?
2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone has a molecular weight of 300.21 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-1-(3-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 152710576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).