2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide

C22H18ClN7O — CID 46582903

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide
SMILESCc1c(C#N)c(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)n(-c2ccccc2)c1C
InChIInChI=1S/C22H18ClN7O/c1-14-15(2)30(18-6-4-3-5-7-18)22(19(14)12-24)25-20(31)13-29-27-21(26-28-29)16-8-10-17(23)11-9-16/h3-11H,13H2,1-2H3,(H,25,31)
InChIKeyIDDVXWYCZWOYCC-UHFFFAOYSA-N
MW431.89 g/mol
LogP3.91
Rot. Bonds5

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide (PubChem CID 46582903) has the molecular formula C22H18ClN7O and a molecular weight of 431.89 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide
PubChem CID46582903
Molecular FormulaC22H18ClN7O
Molecular Weight431.89 g/mol
Exact Mass431.13
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide
SMILESCc1c(C#N)c(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)n(-c2ccccc2)c1C
InChIInChI=1S/C22H18ClN7O/c1-14-15(2)30(18-6-4-3-5-7-18)22(19(14)12-24)25-20(31)13-29-27-21(26-28-29)16-8-10-17(23)11-9-16/h3-11H,13H2,1-2H3,(H,25,31)
InChIKeyIDDVXWYCZWOYCC-UHFFFAOYSA-N
XLogP3.91
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.89
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 9462365
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide
CID 38873567
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide
CID 16597754
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 16961708
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 5299248
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 17437250
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16592423
N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 9462408
[2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 16595232
[2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate
CID 16595259
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 55640162

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide (CID 46582903) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide is Cc1c(C#N)c(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)n(-c2ccccc2)c1C.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide?
The InChIKey is IDDVXWYCZWOYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN7O/c1-14-15(2)30(18-6-4-3-5-7-18)22(19(14)12-24)25-20(31)13-29-27-21(26-28-29)16-8-10-17(23)11-9-16/h3-11H,13H2,1-2H3,(H,25,31).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide has a molecular weight of 431.89 g/mol, XLogP of 3.91, 5 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-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide is sourced from PubChem (CID 46582903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).