4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide

C17H17N5O — CID 6469283

IUPAC4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C17H17N5O/c23-16(11-4-8-13-6-2-1-3-7-13)18-15-10-5-9-14(12-15)17-19-21-22-20-17/h1-3,5-7,9-10,12H,4,8,11H2,(H,18,23)(H,19,20,21,22)
InChIKeySEMQXQXQUMPCTO-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.83
Rot. Bonds6

About 4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide

4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide (PubChem CID 6469283) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
PubChem CID6469283
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C17H17N5O/c23-16(11-4-8-13-6-2-1-3-7-13)18-15-10-5-9-14(12-15)17-19-21-22-20-17/h1-3,5-7,9-10,12H,4,8,11H2,(H,18,23)(H,19,20,21,22)
InChIKeySEMQXQXQUMPCTO-UHFFFAOYSA-N
XLogP2.83
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
The IUPAC name of 4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide (CID 6469283) is 4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
The canonical SMILES for 4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide is O=C(CCCc1ccccc1)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
The InChIKey is SEMQXQXQUMPCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-16(11-4-8-13-6-2-1-3-7-13)18-15-10-5-9-14(12-15)17-19-21-22-20-17/h1-3,5-7,9-10,12H,4,8,11H2,(H,18,23)(H,19,20,21,22).
What are the key properties of 4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide has a molecular weight of 307.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 6469283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).