N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline

C17H14BrFN2 — CID 43732956

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
SMILESFc1ccc(Br)cc1CNc1cccc(-n2cccc2)c1
InChIInChI=1S/C17H14BrFN2/c18-14-6-7-17(19)13(10-14)12-20-15-4-3-5-16(11-15)21-8-1-2-9-21/h1-11,20H,12H2
InChIKeyFFYLKBUMAKGOGA-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.99
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline

N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline (PubChem CID 43732956) has the molecular formula C17H14BrFN2 and a molecular weight of 345.22 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
PubChem CID43732956
Molecular FormulaC17H14BrFN2
Molecular Weight345.22 g/mol
Exact Mass344.03
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
SMILESFc1ccc(Br)cc1CNc1cccc(-n2cccc2)c1
InChIInChI=1S/C17H14BrFN2/c18-14-6-7-17(19)13(10-14)12-20-15-4-3-5-16(11-15)21-8-1-2-9-21/h1-11,20H,12H2
InChIKeyFFYLKBUMAKGOGA-UHFFFAOYSA-N
XLogP4.99
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63667721
3-N-[(5-bromo-2-fluorophenyl)methyl]benzene-1,3-diamine
CID 61299854
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline
CID 63445707
N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672063
N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63445705
2-[3-[(5-bromo-2-fluorophenyl)methylamino]phenoxy]acetonitrile
CID 43721105
N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 43733014
N-[(3-bromofuran-2-yl)methyl]-3-pyrrol-1-ylaniline
CID 106885238
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
CID 107598279
5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
CID 103702616
[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol
CID 112706584

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline (CID 43732956) is N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline is Fc1ccc(Br)cc1CNc1cccc(-n2cccc2)c1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline?
The InChIKey is FFYLKBUMAKGOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2/c18-14-6-7-17(19)13(10-14)12-20-15-4-3-5-16(11-15)21-8-1-2-9-21/h1-11,20H,12H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline?
N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline has a molecular weight of 345.22 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline is sourced from PubChem (CID 43732956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).