N-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline

C14H11BrFN5 — CID 43732010

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline
SMILESFc1ccc(Br)cc1CNc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H11BrFN5/c15-11-4-5-13(16)10(6-11)8-17-12-3-1-2-9(7-12)14-18-20-21-19-14/h1-7,17H,8H2,(H,18,19,20,21)
InChIKeyQFNWIBQXYMDAKX-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.38
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline

N-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline (PubChem CID 43732010) has the molecular formula C14H11BrFN5 and a molecular weight of 348.18 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline
PubChem CID43732010
Molecular FormulaC14H11BrFN5
Molecular Weight348.18 g/mol
Exact Mass347.02
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline
SMILESFc1ccc(Br)cc1CNc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H11BrFN5/c15-11-4-5-13(16)10(6-11)8-17-12-3-1-2-9(7-12)14-18-20-21-19-14/h1-7,17H,8H2,(H,18,19,20,21)
InChIKeyQFNWIBQXYMDAKX-UHFFFAOYSA-N
XLogP3.38
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

NS-3623
CID 9954236
3-[2-[(3-Bromophenyl)methyl]tetrazol-5-yl]aniline
CID 172466602
1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(2-fluorophenyl)urea
CID 10339529
1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
CID 11293731
1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-fluorophenyl)urea
CID 11660824
4-bromo-2,3-difluoro-N-(4-iodo-2-methylphenyl)-6-(2H-tetrazol-5-yl)aniline
CID 18614465
N-(3-ethynylbenzyl)-2-fluoro-5-(1H-tetrazol-5-yl)aniline
CID 86664860
4-bromo-2-(2-methyltetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
CID 138681988
4-bromo-2-[2-[(2-fluorophenyl)methyl]tetrazol-5-yl]-N-[3-(trifluoromethyl)phenyl]aniline
CID 138713695
4-bromo-2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 138713713
N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine
CID 141296448
4-bromo-2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
CID 155342906

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline (CID 43732010) is N-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline is Fc1ccc(Br)cc1CNc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline?
The InChIKey is QFNWIBQXYMDAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN5/c15-11-4-5-13(16)10(6-11)8-17-12-3-1-2-9(7-12)14-18-20-21-19-14/h1-7,17H,8H2,(H,18,19,20,21).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline?
N-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline has a molecular weight of 348.18 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 43732010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).