2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline

C11H7Cl2F2NS — CID 112749366

IUPAC2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline
SMILESFc1cc(F)c(NCc2sccc2Cl)c(Cl)c1
InChIInChI=1S/C11H7Cl2F2NS/c12-7-1-2-17-10(7)5-16-11-8(13)3-6(14)4-9(11)15/h1-4,16H,5H2
InChIKeyMVIDWDMKRPOPAV-UHFFFAOYSA-N
MW294.15 g/mol
LogP4.95
Rot. Bonds3

About 2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline

2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline (PubChem CID 112749366) has the molecular formula C11H7Cl2F2NS and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline
PubChem CID112749366
Molecular FormulaC11H7Cl2F2NS
Molecular Weight294.15 g/mol
Exact Mass292.96
IUPAC Name2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline
SMILESFc1cc(F)c(NCc2sccc2Cl)c(Cl)c1
InChIInChI=1S/C11H7Cl2F2NS/c12-7-1-2-17-10(7)5-16-11-8(13)3-6(14)4-9(11)15/h1-4,16H,5H2
InChIKeyMVIDWDMKRPOPAV-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline 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

2-bromo-N-[(3-bromothiophen-2-yl)methyl]-6-chloro-4-fluoroaniline
CID 107610481
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-4,6-difluoroaniline
CID 83081174
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 83081963
5-bromo-N-[(3-chlorothiophen-2-yl)methyl]-4-fluoro-2-methylaniline
CID 112749369
2-chloro-4,6-difluoro-N-[(4-nitrophenyl)methyl]aniline
CID 82890271
4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 83081403
2-chloro-4-[(2-chloro-4,6-difluoroanilino)methyl]phenol
CID 83081707
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline
CID 83081590
2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline
CID 83081787

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline?
The IUPAC name of 2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline (CID 112749366) is 2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline.
What is the SMILES notation for 2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline?
The canonical SMILES for 2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline is Fc1cc(F)c(NCc2sccc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline?
The InChIKey is MVIDWDMKRPOPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F2NS/c12-7-1-2-17-10(7)5-16-11-8(13)3-6(14)4-9(11)15/h1-4,16H,5H2.
What are the key properties of 2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline?
2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline has a molecular weight of 294.15 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-chlorothiophen-2-yl)methyl]-4,6-difluoroaniline is sourced from PubChem (CID 112749366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).