N-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide

C11H11Cl2N5O — CID 2447075

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N5O/c12-9-2-1-8(10(13)5-9)3-4-14-11(19)6-18-7-15-16-17-18/h1-2,5,7H,3-4,6H2,(H,14,19)
InChIKeyMBPMOJKNQLARML-UHFFFAOYSA-N
MW300.15 g/mol
LogP1.34
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 2447075) has the molecular formula C11H11Cl2N5O and a molecular weight of 300.15 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID2447075
Molecular FormulaC11H11Cl2N5O
Molecular Weight300.15 g/mol
Exact Mass299.03
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N5O/c12-9-2-1-8(10(13)5-9)3-4-14-11(19)6-18-7-15-16-17-18/h1-2,5,7H,3-4,6H2,(H,14,19)
InChIKeyMBPMOJKNQLARML-UHFFFAOYSA-N
XLogP1.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorobenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 2526628
1-[4-[(2,4-Dichlorophenyl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 145978620
N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 23634860
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 40194134
N-[2-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45871435
N-[1-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45871441
N-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45893667
(E)-N-[2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propyl]but-2-enamide
CID 76329970
(2S)-N-(3-chlorobenzyl)-2-(1H-tetrazol-1-yl)propanamide
CID 49656404
1-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-[4-(1,2,4-triazol-4-yl)butyl]urea
CID 99812550
N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-2-(tetrazol-1-yl)acetamide
CID 99835357
1-[4-(4-Chlorophenyl)-4-fluoropiperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 121547684

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide (CID 2447075) is N-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is MBPMOJKNQLARML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5O/c12-9-2-1-8(10(13)5-9)3-4-14-11(19)6-18-7-15-16-17-18/h1-2,5,7H,3-4,6H2,(H,14,19).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 300.15 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 2447075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).