N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide

C21H23N5O — CID 60575562

IUPACN-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide
SMILESCCCN(C(=O)c1cccc(-n2cnnn2)c1)C1CCc2ccccc2C1
InChIInChI=1S/C21H23N5O/c1-2-12-25(19-11-10-16-6-3-4-7-17(16)13-19)21(27)18-8-5-9-20(14-18)26-15-22-23-24-26/h3-9,14-15,19H,2,10-13H2,1H3
InChIKeyCSWZPHZATPDPNY-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.07
Rot. Bonds5

About N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide

N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 60575562) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide
PubChem CID60575562
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide
SMILESCCCN(C(=O)c1cccc(-n2cnnn2)c1)C1CCc2ccccc2C1
InChIInChI=1S/C21H23N5O/c1-2-12-25(19-11-10-16-6-3-4-7-17(16)13-19)21(27)18-8-5-9-20(14-18)26-15-22-23-24-26/h3-9,14-15,19H,2,10-13H2,1H3
InChIKeyCSWZPHZATPDPNY-UHFFFAOYSA-N
XLogP3.07
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide (CID 60575562) is N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide is CCCN(C(=O)c1cccc(-n2cnnn2)c1)C1CCc2ccccc2C1.
What is the InChIKey of N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is CSWZPHZATPDPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-2-12-25(19-11-10-16-6-3-4-7-17(16)13-19)21(27)18-8-5-9-20(14-18)26-15-22-23-24-26/h3-9,14-15,19H,2,10-13H2,1H3.
What are the key properties of N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide?
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 60575562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).