N-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide

C14H18ClN5O2 — CID 2219062

IUPACN-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCCCCn1nnc(NC(=O)COc2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C14H18ClN5O2/c1-3-4-7-20-18-14(17-19-20)16-13(21)9-22-11-5-6-12(15)10(2)8-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,18,21)
InChIKeyNKQCNPKMTDFGGZ-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.45
Rot. Bonds7

About N-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide

N-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide (PubChem CID 2219062) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide
PubChem CID2219062
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC NameN-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCCCCn1nnc(NC(=O)COc2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C14H18ClN5O2/c1-3-4-7-20-18-14(17-19-20)16-13(21)9-22-11-5-6-12(15)10(2)8-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,18,21)
InChIKeyNKQCNPKMTDFGGZ-UHFFFAOYSA-N
XLogP2.45
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 704205
2-(4-ethylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893388
2-(2-chlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893394
2-(2-isopropyl-5-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 2193871
2-(4-Chloro-2-methyl-phenoxy)-N-(1-propyl-1H-tetrazol-5-yl)-acetamide
CID 2066641
N-(2-butyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 2219063
2-(4-chloro-3-methylphenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2667815
2-(4-chlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 648464
2-(4-chloro-3-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
CID 851478
N-(2-ethyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 953039
2-(4-chloro-2-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893324
N-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-2-(4-methylphenoxy)acetamide
CID 953388

Frequently Asked Questions

What is the IUPAC name of N-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide?
The IUPAC name of N-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide (CID 2219062) is N-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide?
The canonical SMILES for N-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide is CCCCn1nnc(NC(=O)COc2ccc(Cl)c(C)c2)n1.
What is the InChIKey of N-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide?
The InChIKey is NKQCNPKMTDFGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O2/c1-3-4-7-20-18-14(17-19-20)16-13(21)9-22-11-5-6-12(15)10(2)8-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,18,21).
What are the key properties of N-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide?
N-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide has a molecular weight of 323.78 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyltetrazol-5-yl)-2-(4-chloro-3-methylphenoxy)acetamide is sourced from PubChem (CID 2219062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).