N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline

C13H10ClN5 — CID 125465468

IUPACN-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
SMILESClc1ccc(Nc2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H10ClN5/c14-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)13-16-18-19-17-13/h1-8,15H,(H,16,17,18,19)
InChIKeyLWBVBGJOASIPIJ-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.26
Rot. Bonds3

About N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline

N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline (PubChem CID 125465468) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
PubChem CID125465468
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC NameN-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
SMILESClc1ccc(Nc2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H10ClN5/c14-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)13-16-18-19-17-13/h1-8,15H,(H,16,17,18,19)
InChIKeyLWBVBGJOASIPIJ-UHFFFAOYSA-N
XLogP3.26
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
CID 125465363
N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline
CID 135372809
ethane;2-(2H-tetrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 142468341
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 155224026
3-[3,5-dichloro-4-[7-[2,6-dichloro-4-[2-(2H-tetrazol-5-yl)anilino]phenoxy]heptoxy]phenyl]propanoic acid
CID 170371226
3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide
CID 166400588
3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine
CID 135372219
1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 10407640
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-[2-(2H-tetrazol-5-yl)phenyl]propanamide
CID 167964410
5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol
CID 157441605
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline (CID 125465468) is N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline is Clc1ccc(Nc2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline?
The InChIKey is LWBVBGJOASIPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c14-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)13-16-18-19-17-13/h1-8,15H,(H,16,17,18,19).
What are the key properties of N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline?
N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline has a molecular weight of 271.71 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 125465468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).