N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide

C20H21ClN6O2 — CID 1166107

IUPACN-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C20H21ClN6O2/c1-14-2-5-16(21)12-18(14)22-19(28)13-27-24-20(23-25-27)15-3-6-17(7-4-15)26-8-10-29-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,22,28)
InChIKeyJLCPXWKDPUYBKA-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.78
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide (PubChem CID 1166107) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
PubChem CID1166107
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C20H21ClN6O2/c1-14-2-5-16(21)12-18(14)22-19(28)13-27-24-20(23-25-27)15-3-6-17(7-4-15)26-8-10-29-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,22,28)
InChIKeyJLCPXWKDPUYBKA-UHFFFAOYSA-N
XLogP2.78
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1136633
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 84603667
N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146
N-(4-bromo-2-methylphenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 26685438
N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide
CID 1157244
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 30386021
4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine
CID 648488
2-(4-chlorophenoxy)-N-(2-methyl-5-morpholin-4-ylphenyl)acetamide
CID 110362472
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide
CID 112812582
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16517343
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8591268

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide (CID 1166107) is N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(Cl)cc1NC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is JLCPXWKDPUYBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c1-14-2-5-16(21)12-18(14)22-19(28)13-27-24-20(23-25-27)15-3-6-17(7-4-15)26-8-10-29-11-9-26/h2-7,12H,8-11,13H2,1H3,(H,22,28).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 412.88 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1166107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).