2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline

C15H11ClF2N2 — CID 83081633

IUPAC2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline
SMILESFc1cc(F)c(NCc2c[nH]c3ccccc23)c(Cl)c1
InChIInChI=1S/C15H11ClF2N2/c16-12-5-10(17)6-13(18)15(12)20-8-9-7-19-14-4-2-1-3-11(9)14/h1-7,19-20H,8H2
InChIKeyUTPHQLQWYKAZDW-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.71
Rot. Bonds3

About 2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline

2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline (PubChem CID 83081633) has the molecular formula C15H11ClF2N2 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline
PubChem CID83081633
Molecular FormulaC15H11ClF2N2
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline
SMILESFc1cc(F)c(NCc2c[nH]c3ccccc23)c(Cl)c1
InChIInChI=1S/C15H11ClF2N2/c16-12-5-10(17)6-13(18)15(12)20-8-9-7-19-14-4-2-1-3-11(9)14/h1-7,19-20H,8H2
InChIKeyUTPHQLQWYKAZDW-UHFFFAOYSA-N
XLogP4.71
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309
4-fluoro-2-N-(1H-indol-3-ylmethyl)benzene-1,2-diamine
CID 115124152
2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 83078319
2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline
CID 83082100
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
methyl 2-[(2-chloro-4,6-difluoroanilino)methyl]benzoate
CID 83074169
3-fluoro-N-(1H-indol-3-ylmethyl)-4-methoxyaniline
CID 60980784
2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile
CID 62326498
4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline
CID 114838759
4-[(2,6-dichloro-4-fluoroanilino)methyl]benzene-1,3-diol
CID 83077129
N-[(2-bromophenyl)methyl]-2,6-dichloro-4-fluoroaniline
CID 83076808
2-chloro-4,6-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 83082033

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline (CID 83081633) is 2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline is Fc1cc(F)c(NCc2c[nH]c3ccccc23)c(Cl)c1.
What is the InChIKey of 2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline?
The InChIKey is UTPHQLQWYKAZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2/c16-12-5-10(17)6-13(18)15(12)20-8-9-7-19-14-4-2-1-3-11(9)14/h1-7,19-20H,8H2.
What are the key properties of 2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline?
2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline has a molecular weight of 292.72 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-(1H-indol-3-ylmethyl)aniline is sourced from PubChem (CID 83081633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).