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

C14H15Cl2N5O — CID 146124911

IUPACN-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCC1(c2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C14H15Cl2N5O/c15-10-2-3-11(12(16)6-10)14(4-1-5-14)8-17-13(22)7-21-9-18-19-20-21/h2-3,6,9H,1,4-5,7-8H2,(H,17,22)
InChIKeyXWXSEBCQPRGTQX-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.22
Rot. Bonds5

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

N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 146124911) has the molecular formula C14H15Cl2N5O and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID146124911
Molecular FormulaC14H15Cl2N5O
Molecular Weight340.21 g/mol
Exact Mass339.07
IUPAC NameN-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCC1(c2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C14H15Cl2N5O/c15-10-2-3-11(12(16)6-10)14(4-1-5-14)8-17-13(22)7-21-9-18-19-20-21/h2-3,6,9H,1,4-5,7-8H2,(H,17,22)
InChIKeyXWXSEBCQPRGTQX-UHFFFAOYSA-N
XLogP2.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide (CID 146124911) is N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NCC1(c2ccc(Cl)cc2Cl)CCC1.
What is the InChIKey of N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is XWXSEBCQPRGTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5O/c15-10-2-3-11(12(16)6-10)14(4-1-5-14)8-17-13(22)7-21-9-18-19-20-21/h2-3,6,9H,1,4-5,7-8H2,(H,17,22).
What are the key properties of N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide?
N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 340.21 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 146124911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).