2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide

C24H20ClN9O2 — CID 1448588

IUPAC2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccc(Cn4nnc(-c5ccc(Cl)cc5)n4)cc3)n2)cc1
InChIInChI=1S/C24H20ClN9O2/c1-36-21-12-10-20(11-13-21)26-22(35)15-34-30-23(28-32-34)17-4-2-16(3-5-17)14-33-29-24(27-31-33)18-6-8-19(25)9-7-18/h2-13H,14-15H2,1H3,(H,26,35)
InChIKeyXBUDAPBOKLBDIV-UHFFFAOYSA-N
MW501.94 g/mol
LogP3.34
Rot. Bonds8

About 2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide

2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 1448588) has the molecular formula C24H20ClN9O2 and a molecular weight of 501.94 g/mol. Its IUPAC name is 2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID1448588
Molecular FormulaC24H20ClN9O2
Molecular Weight501.94 g/mol
Exact Mass501.14
IUPAC Name2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccc(Cn4nnc(-c5ccc(Cl)cc5)n4)cc3)n2)cc1
InChIInChI=1S/C24H20ClN9O2/c1-36-21-12-10-20(11-13-21)26-22(35)15-34-30-23(28-32-34)17-4-2-16(3-5-17)14-33-29-24(27-31-33)18-6-8-19(25)9-7-18/h2-13H,14-15H2,1H3,(H,26,35)
InChIKeyXBUDAPBOKLBDIV-UHFFFAOYSA-N
XLogP3.34
TPSA125.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.94
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-[4-[chloro(difluoro)methoxy]phenyl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 1046122
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 5299248
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 30386021
4-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N,N-diethylbenzamide
CID 42016506
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 42016405
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetamide
CID 23941582
N-(4-ethylphenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490049
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
N-(4-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634205
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide (CID 1448588) is 2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2nnc(-c3ccc(Cn4nnc(-c5ccc(Cl)cc5)n4)cc3)n2)cc1.
What is the InChIKey of 2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is XBUDAPBOKLBDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN9O2/c1-36-21-12-10-20(11-13-21)26-22(35)15-34-30-23(28-32-34)17-4-2-16(3-5-17)14-33-29-24(27-31-33)18-6-8-19(25)9-7-18/h2-13H,14-15H2,1H3,(H,26,35).
What are the key properties of 2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide?
2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 501.94 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1448588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).