2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide

C20H20ClN5O — CID 30231157

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C20H20ClN5O/c21-17-9-7-15(8-10-17)19-23-25-26(24-19)13-18(27)22-14-20(11-4-12-20)16-5-2-1-3-6-16/h1-3,5-10H,4,11-14H2,(H,22,27)
InChIKeyFBRUOQCEWKCSMT-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.23
Rot. Bonds6

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide (PubChem CID 30231157) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
PubChem CID30231157
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C20H20ClN5O/c21-17-9-7-15(8-10-17)19-23-25-26(24-19)13-18(27)22-14-20(11-4-12-20)16-5-2-1-3-6-16/h1-3,5-10H,4,11-14H2,(H,22,27)
InChIKeyFBRUOQCEWKCSMT-UHFFFAOYSA-N
XLogP3.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 111445934
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2529149
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678264
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 112775878
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
CID 110164165
N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 17478597

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide (CID 30231157) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide is O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCC1(c2ccccc2)CCC1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The InChIKey is FBRUOQCEWKCSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-17-9-7-15(8-10-17)19-23-25-26(24-19)13-18(27)22-14-20(11-4-12-20)16-5-2-1-3-6-16/h1-3,5-10H,4,11-14H2,(H,22,27).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide has a molecular weight of 381.87 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide is sourced from PubChem (CID 30231157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).