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

C17H24ClN5O — CID 134022286

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)C(CC)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H24ClN5O/c1-4-11-22(12-5-2)17(24)15(6-3)23-20-16(19-21-23)13-7-9-14(18)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyLRRYKCHNQRGYGO-UHFFFAOYSA-N
MW349.87 g/mol
LogP3.59
Rot. Bonds8

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

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide (PubChem CID 134022286) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide
PubChem CID134022286
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)C(CC)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H24ClN5O/c1-4-11-22(12-5-2)17(24)15(6-3)23-20-16(19-21-23)13-7-9-14(18)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyLRRYKCHNQRGYGO-UHFFFAOYSA-N
XLogP3.59
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoic acid
CID 119176861
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)butanamide
CID 55434010
N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
CID 51246951
(4-carbamoylphenyl)methyl (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoate
CID 26971559
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide
CID 38874295
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)butan-1-one
CID 112809604
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide
CID 51253386
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 16567945
propan-2-yl 3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoate
CID 51256542
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide
CID 55433773
(2R)-1-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]butan-1-one
CID 100662526
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]butan-1-one
CID 56512012

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide (CID 134022286) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide is CCCN(CCC)C(=O)C(CC)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide?
The InChIKey is LRRYKCHNQRGYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O/c1-4-11-22(12-5-2)17(24)15(6-3)23-20-16(19-21-23)13-7-9-14(18)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3.
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide has a molecular weight of 349.87 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 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,N-dipropylbutanamide is sourced from PubChem (CID 134022286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).