N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide

C15H20ClN5O — CID 68928918

IUPACN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide
SMILESCCCCCCC(=O)NCc1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C15H20ClN5O/c1-2-3-4-5-6-15(22)17-10-12-9-13(16)7-8-14(12)21-11-18-19-20-21/h7-9,11H,2-6,10H2,1H3,(H,17,22)
InChIKeyRPBYFICMSZZYSP-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.90
Rot. Bonds8

About N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide

N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide (PubChem CID 68928918) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide
PubChem CID68928918
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC NameN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide
SMILESCCCCCCC(=O)NCc1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C15H20ClN5O/c1-2-3-4-5-6-15(22)17-10-12-9-13(16)7-8-14(12)21-11-18-19-20-21/h7-9,11H,2-6,10H2,1H3,(H,17,22)
InChIKeyRPBYFICMSZZYSP-UHFFFAOYSA-N
XLogP2.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide?
The IUPAC name of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide (CID 68928918) is N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide.
What is the SMILES notation for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide?
The canonical SMILES for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide is CCCCCCC(=O)NCc1cc(Cl)ccc1-n1cnnn1.
What is the InChIKey of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide?
The InChIKey is RPBYFICMSZZYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-2-3-4-5-6-15(22)17-10-12-9-13(16)7-8-14(12)21-11-18-19-20-21/h7-9,11H,2-6,10H2,1H3,(H,17,22).
What are the key properties of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide?
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide has a molecular weight of 321.81 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]heptanamide is sourced from PubChem (CID 68928918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).