N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline

C14H11Cl2N5 — CID 43231375

IUPACN-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
SMILESClc1ccc(CNc2cccc(-n3cnnn3)c2)c(Cl)c1
InChIInChI=1S/C14H11Cl2N5/c15-11-5-4-10(14(16)6-11)8-17-12-2-1-3-13(7-12)21-9-18-19-20-21/h1-7,9,17H,8H2
InChIKeyQCBPPJUSABVGAI-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.58
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline

N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline (PubChem CID 43231375) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
PubChem CID43231375
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
SMILESClc1ccc(CNc2cccc(-n3cnnn3)c2)c(Cl)c1
InChIInChI=1S/C14H11Cl2N5/c15-11-5-4-10(14(16)6-11)8-17-12-2-1-3-13(7-12)21-9-18-19-20-21/h1-7,9,17H,8H2
InChIKeyQCBPPJUSABVGAI-UHFFFAOYSA-N
XLogP3.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 103696972
N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739948
3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475298
3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43683952
N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43683929
N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 60694837
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8519287
N-[1-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43683959
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217
N-[(2,4-dichlorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709053

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline (CID 43231375) is N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline is Clc1ccc(CNc2cccc(-n3cnnn3)c2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline?
The InChIKey is QCBPPJUSABVGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c15-11-5-4-10(14(16)6-11)8-17-12-2-1-3-13(7-12)21-9-18-19-20-21/h1-7,9,17H,8H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline?
N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline has a molecular weight of 320.18 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43231375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).