3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C21H23N5O — CID 75768255

IUPAC3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCC(C)n1nnnc1-c1cccc(C(=O)NC2CCCc3ccccc32)c1
InChIInChI=1S/C21H23N5O/c1-14(2)26-20(23-24-25-26)16-9-5-10-17(13-16)21(27)22-19-12-6-8-15-7-3-4-11-18(15)19/h3-5,7,9-11,13-14,19H,6,8,12H2,1-2H3,(H,22,27)
InChIKeyRDBPEZWHJYZDMX-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.73
Rot. Bonds4

About 3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 75768255) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID75768255
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCC(C)n1nnnc1-c1cccc(C(=O)NC2CCCc3ccccc32)c1
InChIInChI=1S/C21H23N5O/c1-14(2)26-20(23-24-25-26)16-9-5-10-17(13-16)21(27)22-19-12-6-8-15-7-3-4-11-18(15)19/h3-5,7,9-11,13-14,19H,6,8,12H2,1-2H3,(H,22,27)
InChIKeyRDBPEZWHJYZDMX-UHFFFAOYSA-N
XLogP3.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide
CID 3215286
3-[3-(aminomethyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 134158405
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4842813
3-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2441074
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92870057
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46327284
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-indole-6-carboxamide
CID 39705283
3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46385955
3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide
CID 68651908

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 75768255) is 3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is CC(C)n1nnnc1-c1cccc(C(=O)NC2CCCc3ccccc32)c1.
What is the InChIKey of 3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is RDBPEZWHJYZDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14(2)26-20(23-24-25-26)16-9-5-10-17(13-16)21(27)22-19-12-6-8-15-7-3-4-11-18(15)19/h3-5,7,9-11,13-14,19H,6,8,12H2,1-2H3,(H,22,27).
What are the key properties of 3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-yltetrazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 75768255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).