4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline

C18H13BrF2N2 — CID 174712306

IUPAC4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(Br)c(F)c2)c(-c2cccnc2)c1
InChIInChI=1S/C18H13BrF2N2/c19-17-6-5-15(9-18(17)21)23-11-13-3-4-14(20)8-16(13)12-2-1-7-22-10-12/h1-10,23H,11H2
InChIKeyIAZVZAHKAPKTNK-UHFFFAOYSA-N
MW375.22 g/mol
LogP5.40
Rot. Bonds4

About 4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline

4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline (PubChem CID 174712306) has the molecular formula C18H13BrF2N2 and a molecular weight of 375.22 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline
PubChem CID174712306
Molecular FormulaC18H13BrF2N2
Molecular Weight375.22 g/mol
Exact Mass374.02
IUPAC Name4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline
SMILESFc1ccc(CNc2ccc(Br)c(F)c2)c(-c2cccnc2)c1
InChIInChI=1S/C18H13BrF2N2/c19-17-6-5-15(9-18(17)21)23-11-13-3-4-14(20)8-16(13)12-2-1-7-22-10-12/h1-10,23H,11H2
InChIKeyIAZVZAHKAPKTNK-UHFFFAOYSA-N
XLogP5.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.22
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
2-(2,4-difluorophenyl)-N-[(2-pyridin-3-ylphenyl)methyl]acetamide
CID 166339826
4-iodo-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]aniline
CID 174712308
3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43761640
5-(2-bromo-5-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524209
2-(2,4-difluorophenyl)-N-pyridin-3-ylacetamide
CID 110488862
(4,5-difluoro-2-pyridin-3-ylphenyl)methanol
CID 141349558
N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883
N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55196577
N-[(2-bromo-5-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380826
N-[(3-bromo-2-fluorophenyl)methyl]isoquinolin-6-amine
CID 167880617
3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine
CID 113452010

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline?
The IUPAC name of 4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline (CID 174712306) is 4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline.
What is the SMILES notation for 4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline?
The canonical SMILES for 4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline is Fc1ccc(CNc2ccc(Br)c(F)c2)c(-c2cccnc2)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline?
The InChIKey is IAZVZAHKAPKTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrF2N2/c19-17-6-5-15(9-18(17)21)23-11-13-3-4-14(20)8-16(13)12-2-1-7-22-10-12/h1-10,23H,11H2.
What are the key properties of 4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline?
4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline has a molecular weight of 375.22 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline is sourced from PubChem (CID 174712306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).