2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide

C19H20ClN5O — CID 55433773

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide
SMILESCCC(C(=O)Nc1cc(C)ccc1C)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H20ClN5O/c1-4-17(19(26)21-16-11-12(2)5-6-13(16)3)25-23-18(22-24-25)14-7-9-15(20)10-8-14/h5-11,17H,4H2,1-3H3,(H,21,26)
InChIKeyORADOPREOPADIB-UHFFFAOYSA-N
MW369.86 g/mol
LogP4.20
Rot. Bonds5

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide (PubChem CID 55433773) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide
PubChem CID55433773
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide
SMILESCCC(C(=O)Nc1cc(C)ccc1C)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H20ClN5O/c1-4-17(19(26)21-16-11-12(2)5-6-13(16)3)25-23-18(22-24-25)14-7-9-15(20)10-8-14/h5-11,17H,4H2,1-3H3,(H,21,26)
InChIKeyORADOPREOPADIB-UHFFFAOYSA-N
XLogP4.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 16567945
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)butanamide
CID 55434010
3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoic acid
CID 119176861
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 46624222
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]butanamide
CID 55978138
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide
CID 51253386
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 24676066
(2S)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-cyanoethylsulfanyl)phenyl]butanamide
CID 97309347
N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
CID 51246951
propan-2-yl 3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoate
CID 51256542
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide
CID 134022286
1-[1-(2,5-dimethylanilino)-1-oxobutan-2-yl]triazole-4,5-dicarboxylic acid
CID 6621849

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide (CID 55433773) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide is CCC(C(=O)Nc1cc(C)ccc1C)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide?
The InChIKey is ORADOPREOPADIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-4-17(19(26)21-16-11-12(2)5-6-13(16)3)25-23-18(22-24-25)14-7-9-15(20)10-8-14/h5-11,17H,4H2,1-3H3,(H,21,26).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide has a molecular weight of 369.86 g/mol, XLogP of 4.20, 5 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-(2,5-dimethylphenyl)butanamide is sourced from PubChem (CID 55433773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).