2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide

C20H22ClN5O2 — CID 134023226

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
SMILESCCC(C(=O)NCc1ccccc1COC)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H22ClN5O2/c1-3-18(20(27)22-12-15-6-4-5-7-16(15)13-28-2)26-24-19(23-25-26)14-8-10-17(21)11-9-14/h4-11,18H,3,12-13H2,1-2H3,(H,22,27)
InChIKeyPMHKEYVNGXLIOY-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.41
Rot. Bonds8

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide (PubChem CID 134023226) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
PubChem CID134023226
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
SMILESCCC(C(=O)NCc1ccccc1COC)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H22ClN5O2/c1-3-18(20(27)22-12-15-6-4-5-7-16(15)13-28-2)26-24-19(23-25-26)14-8-10-17(21)11-9-14/h4-11,18H,3,12-13H2,1-2H3,(H,22,27)
InChIKeyPMHKEYVNGXLIOY-UHFFFAOYSA-N
XLogP3.41
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
CID 51246951
3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoic acid
CID 119176861
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide
CID 51253386
propan-2-yl 3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoate
CID 51256542
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]butanamide
CID 55745851
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)butanamide
CID 55434010
2-(5-phenyltetrazol-2-yl)butanehydrazide
CID 63573923
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 16567945
methyl 4-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]propanoylamino]methyl]benzoate
CID 51311301
(4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate
CID 26971559
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide
CID 55433773
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]butanamide
CID 55438971

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide (CID 134023226) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide is CCC(C(=O)NCc1ccccc1COC)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide?
The InChIKey is PMHKEYVNGXLIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-3-18(20(27)22-12-15-6-4-5-7-16(15)13-28-2)26-24-19(23-25-26)14-8-10-17(21)11-9-14/h4-11,18H,3,12-13H2,1-2H3,(H,22,27).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide has a molecular weight of 399.88 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 134023226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).