N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline

C14H11BrFN5 — CID 28621637

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline
SMILESFc1ccc(Br)cc1CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H11BrFN5/c15-11-1-6-14(16)10(7-11)8-17-12-2-4-13(5-3-12)21-9-18-19-20-21/h1-7,9,17H,8H2
InChIKeyRGSOPCKDDHUVJY-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.18
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline

N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline (PubChem CID 28621637) has the molecular formula C14H11BrFN5 and a molecular weight of 348.18 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline
PubChem CID28621637
Molecular FormulaC14H11BrFN5
Molecular Weight348.18 g/mol
Exact Mass347.02
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline
SMILESFc1ccc(Br)cc1CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H11BrFN5/c15-11-1-6-14(16)10(7-11)8-17-12-2-4-13(5-3-12)21-9-18-19-20-21/h1-7,9,17H,8H2
InChIKeyRGSOPCKDDHUVJY-UHFFFAOYSA-N
XLogP3.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 103947423
4-[[4-(tetrazol-1-yl)anilino]methyl]benzene-1,3-diol
CID 28621740
N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 46460818
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
4-[(5-bromo-2-fluorophenyl)methylamino]benzoic acid
CID 43321686
[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol
CID 112706584
5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
CID 103702616
2-[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]acetonitrile
CID 43722164
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380671
2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43698278
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79839971

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline (CID 28621637) is N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline is Fc1ccc(Br)cc1CNc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline?
The InChIKey is RGSOPCKDDHUVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN5/c15-11-1-6-14(16)10(7-11)8-17-12-2-4-13(5-3-12)21-9-18-19-20-21/h1-7,9,17H,8H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline?
N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline has a molecular weight of 348.18 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 28621637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).