2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline

C13H9Cl3FN — CID 83077123

IUPAC2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline
SMILESFc1cc(Cl)c(NCc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H9Cl3FN/c14-9-3-1-2-8(4-9)7-18-13-11(15)5-10(17)6-12(13)16/h1-6,18H,7H2
InChIKeyDMEUYTYRQIOZSR-UHFFFAOYSA-N
MW304.58 g/mol
LogP5.40
Rot. Bonds3

About 2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline

2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline (PubChem CID 83077123) has the molecular formula C13H9Cl3FN and a molecular weight of 304.58 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline
PubChem CID83077123
Molecular FormulaC13H9Cl3FN
Molecular Weight304.58 g/mol
Exact Mass302.98
IUPAC Name2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline
SMILESFc1cc(Cl)c(NCc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H9Cl3FN/c14-9-3-1-2-8(4-9)7-18-13-11(15)5-10(17)6-12(13)16/h1-6,18H,7H2
InChIKeyDMEUYTYRQIOZSR-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.58
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide
CID 83077384
2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402948
2-N-[(3-chlorophenyl)methyl]-3,4-difluorobenzene-1,2-diamine
CID 62533701
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]aniline
CID 65469695
2,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81145127
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513
2,6-dichloro-4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 83076631
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 83078179
2-N-[(3-chlorophenyl)methyl]-4-fluorobenzene-1,2-diamine
CID 55086539
N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline?
The IUPAC name of 2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline (CID 83077123) is 2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline?
The canonical SMILES for 2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline is Fc1cc(Cl)c(NCc2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline?
The InChIKey is DMEUYTYRQIOZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3FN/c14-9-3-1-2-8(4-9)7-18-13-11(15)5-10(17)6-12(13)16/h1-6,18H,7H2.
What are the key properties of 2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline?
2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline has a molecular weight of 304.58 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 83077123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).