2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

C20H21ClN6O2 — CID 30386021

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H21ClN6O2/c21-17-5-3-16(4-6-17)20-23-25-27(24-20)14-19(28)22-18-7-1-15(2-8-18)13-26-9-11-29-12-10-26/h1-8H,9-14H2,(H,22,28)
InChIKeyYASKRHRWRQWVNU-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.46
Rot. Bonds6

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 30386021) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID30386021
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H21ClN6O2/c21-17-5-3-16(4-6-17)20-23-25-27(24-20)14-19(28)22-18-7-1-15(2-8-18)13-26-9-11-29-12-10-26/h1-8H,9-14H2,(H,22,28)
InChIKeyYASKRHRWRQWVNU-UHFFFAOYSA-N
XLogP2.46
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine
CID 649087
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-(cyanomethyl)phenyl]acetamide
CID 5299248
2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 1448588
N-(4-fluorophenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1166105
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 84603667
4-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N,N-diethylbenzamide
CID 42016506
2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3280448
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone
CID 646381
N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1166107
4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine
CID 648488

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 30386021) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is YASKRHRWRQWVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c21-17-5-3-16(4-6-17)20-23-25-27(24-20)14-19(28)22-18-7-1-15(2-8-18)13-26-9-11-29-12-10-26/h1-8H,9-14H2,(H,22,28).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 412.88 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 30386021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).