4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline

C15H12BrFN2 — CID 102909203

IUPAC4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline
SMILESFc1cc(Br)ccc1NCc1cccc2cc[nH]c12
InChIInChI=1S/C15H12BrFN2/c16-12-4-5-14(13(17)8-12)19-9-11-3-1-2-10-6-7-18-15(10)11/h1-8,18-19H,9H2
InChIKeyGOWRZYSZUYMWCC-UHFFFAOYSA-N
MW319.18 g/mol
LogP4.68
Rot. Bonds3

About 4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline

4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline (PubChem CID 102909203) has the molecular formula C15H12BrFN2 and a molecular weight of 319.18 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline
PubChem CID102909203
Molecular FormulaC15H12BrFN2
Molecular Weight319.18 g/mol
Exact Mass318.02
IUPAC Name4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline
SMILESFc1cc(Br)ccc1NCc1cccc2cc[nH]c12
InChIInChI=1S/C15H12BrFN2/c16-12-4-5-14(13(17)8-12)19-9-11-3-1-2-10-6-7-18-15(10)11/h1-8,18-19H,9H2
InChIKeyGOWRZYSZUYMWCC-UHFFFAOYSA-N
XLogP4.68
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(1H-indol-7-ylmethyl)aniline
CID 113268158
2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline
CID 102910790
4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline
CID 43658804
4-bromo-2,3-dichloro-N-(1H-indol-7-ylmethyl)aniline
CID 107788084
4-bromo-2,6-dichloro-N-(1H-indol-7-ylmethyl)aniline
CID 102909422
2-bromo-N-(1H-indol-7-ylmethyl)-3-methylaniline
CID 102911661
N-(1,3-benzodioxol-4-ylmethyl)-4-bromo-2-fluoroaniline
CID 43583401
4-bromo-2-fluoro-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327179
N-(1H-indol-7-ylmethyl)-4-iodo-2-methylaniline
CID 102909688
2-fluoro-4-(1H-indol-7-ylmethylamino)phenol
CID 102911136
3-[(4-bromo-2-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 103913692
3-bromo-N-(1H-indol-7-ylmethyl)-5-methoxyaniline
CID 103876462

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline?
The IUPAC name of 4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline (CID 102909203) is 4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline is Fc1cc(Br)ccc1NCc1cccc2cc[nH]c12.
What is the InChIKey of 4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline?
The InChIKey is GOWRZYSZUYMWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2/c16-12-4-5-14(13(17)8-12)19-9-11-3-1-2-10-6-7-18-15(10)11/h1-8,18-19H,9H2.
What are the key properties of 4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline?
4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline has a molecular weight of 319.18 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(1H-indol-7-ylmethyl)aniline is sourced from PubChem (CID 102909203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).