2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide

C14H18ClN5O2 — CID 60548379

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnnc2C(C)(C)C)cc1Cl
InChIInChI=1S/C14H18ClN5O2/c1-14(2,3)13-17-18-19-20(13)8-12(21)16-9-5-6-11(22-4)10(15)7-9/h5-7H,8H2,1-4H3,(H,16,21)
InChIKeyIDRQMOBUDZVBNY-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.27
Rot. Bonds4

About 2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide

2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 60548379) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID60548379
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnnc2C(C)(C)C)cc1Cl
InChIInChI=1S/C14H18ClN5O2/c1-14(2,3)13-17-18-19-20(13)8-12(21)16-9-5-6-11(22-4)10(15)7-9/h5-7H,8H2,1-4H3,(H,16,21)
InChIKeyIDRQMOBUDZVBNY-UHFFFAOYSA-N
XLogP2.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2959650
2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 112521508
N-(3-chloro-4-methoxyphenyl)-2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)acetamide
CID 39890937
N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977030
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 116642136
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 9131080
N-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521514
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 4805380
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide (CID 60548379) is 2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2nnnc2C(C)(C)C)cc1Cl.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is IDRQMOBUDZVBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O2/c1-14(2,3)13-17-18-19-20(13)8-12(21)16-9-5-6-11(22-4)10(15)7-9/h5-7H,8H2,1-4H3,(H,16,21).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide?
2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 323.78 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 60548379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).