2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline

C13H9Cl2F2N — CID 105402904

IUPAC2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline
SMILESFc1cc(F)cc(CNc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H9Cl2F2N/c14-9-1-2-12(15)13(5-9)18-7-8-3-10(16)6-11(17)4-8/h1-6,18H,7H2
InChIKeyWAPCLEHTIQPFKW-UHFFFAOYSA-N
MW288.12 g/mol
LogP4.88
Rot. Bonds3

About 2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline

2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline (PubChem CID 105402904) has the molecular formula C13H9Cl2F2N and a molecular weight of 288.12 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline
PubChem CID105402904
Molecular FormulaC13H9Cl2F2N
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline
SMILESFc1cc(F)cc(CNc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H9Cl2F2N/c14-9-1-2-12(15)13(5-9)18-7-8-3-10(16)6-11(17)4-8/h1-6,18H,7H2
InChIKeyWAPCLEHTIQPFKW-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline
CID 107526967
2,5-dichloro-N-[(4-iodophenyl)methyl]aniline
CID 65499551
2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 30051961
4-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-2-iodoaniline
CID 107632533
2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43757200
2,5-dichloro-N-(thiophen-3-ylmethyl)aniline
CID 29267007
2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402948
methyl 4-chloro-3-[(3-chloro-5-fluorophenyl)methylamino]benzoate
CID 114452449
4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 60789911
4-[(5-bromo-2-chloroanilino)methyl]-2,6-difluorophenol
CID 79891306
4-[(2,5-dichloroanilino)methyl]-3,5-difluorobenzonitrile
CID 107037451
5-bromo-2-chloro-N-[(3-fluoro-5-nitrophenyl)methyl]aniline
CID 115980452

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline?
The IUPAC name of 2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline (CID 105402904) is 2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline is Fc1cc(F)cc(CNc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline?
The InChIKey is WAPCLEHTIQPFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N/c14-9-1-2-12(15)13(5-9)18-7-8-3-10(16)6-11(17)4-8/h1-6,18H,7H2.
What are the key properties of 2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline?
2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline has a molecular weight of 288.12 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline is sourced from PubChem (CID 105402904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).