2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline

C14H11ClFN5 — CID 104530691

IUPAC2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline
SMILESFc1cccc(Cl)c1NCc1nnnn1-c1ccccc1
InChIInChI=1S/C14H11ClFN5/c15-11-7-4-8-12(16)14(11)17-9-13-18-19-20-21(13)10-5-2-1-3-6-10/h1-8,17H,9H2
InChIKeyNOAOVKCGDWEOGR-UHFFFAOYSA-N
MW303.73 g/mol
LogP3.07
Rot. Bonds4

About 2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline

2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline (PubChem CID 104530691) has the molecular formula C14H11ClFN5 and a molecular weight of 303.73 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline
PubChem CID104530691
Molecular FormulaC14H11ClFN5
Molecular Weight303.73 g/mol
Exact Mass303.07
IUPAC Name2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline
SMILESFc1cccc(Cl)c1NCc1nnnn1-c1ccccc1
InChIInChI=1S/C14H11ClFN5/c15-11-7-4-8-12(16)14(11)17-9-13-18-19-20-21(13)10-5-2-1-3-6-10/h1-8,17H,9H2
InChIKeyNOAOVKCGDWEOGR-UHFFFAOYSA-N
XLogP3.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-6-methyl-N-[(1-phenyltetrazol-5-yl)methyl]aniline
CID 60537482
4-chloro-N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)aniline
CID 51225137
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 18565796
1-(3-chlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60671794
1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
CID 18565987
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
5-chloro-N-[(1-phenyltetrazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 47037686
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline
CID 60536584
N-[(1-phenyltetrazol-5-yl)methyl]morpholin-4-amine
CID 83021922
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 47010886

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
The IUPAC name of 2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline (CID 104530691) is 2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
The canonical SMILES for 2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline is Fc1cccc(Cl)c1NCc1nnnn1-c1ccccc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
The InChIKey is NOAOVKCGDWEOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5/c15-11-7-4-8-12(16)14(11)17-9-13-18-19-20-21(13)10-5-2-1-3-6-10/h1-8,17H,9H2.
What are the key properties of 2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline has a molecular weight of 303.73 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 104530691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).