N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide

C18H17N5O — CID 162647842

IUPACN-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1ccccc1-c1nn[nH]n1)c1cccc2c1CCCC2
InChIInChI=1S/C18H17N5O/c24-18(14-10-5-7-12-6-1-2-8-13(12)14)19-16-11-4-3-9-15(16)17-20-22-23-21-17/h3-5,7,9-11H,1-2,6,8H2,(H,19,24)(H,20,21,22,23)
InChIKeyPBTHRRXFEPIPBD-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.00
Rot. Bonds3

About N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide

N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide (PubChem CID 162647842) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
PubChem CID162647842
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1ccccc1-c1nn[nH]n1)c1cccc2c1CCCC2
InChIInChI=1S/C18H17N5O/c24-18(14-10-5-7-12-6-1-2-8-13(12)14)19-16-11-4-3-9-15(16)17-20-22-23-21-17/h3-5,7,9-11H,1-2,6,8H2,(H,19,24)(H,20,21,22,23)
InChIKeyPBTHRRXFEPIPBD-UHFFFAOYSA-N
XLogP3.00
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 97455792
N-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98001091
N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 97455780
2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
2-ethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16545688
2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 8795745
5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 167932960
3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 82782191
N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 97455745
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 26516196
N-propan-2-yl-2-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetyl]amino]benzamide
CID 100502815

Frequently Asked Questions

What is the IUPAC name of N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide (CID 162647842) is N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide is O=C(Nc1ccccc1-c1nn[nH]n1)c1cccc2c1CCCC2.
What is the InChIKey of N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The InChIKey is PBTHRRXFEPIPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(14-10-5-7-12-6-1-2-8-13(12)14)19-16-11-4-3-9-15(16)17-20-22-23-21-17/h3-5,7,9-11H,1-2,6,8H2,(H,19,24)(H,20,21,22,23).
What are the key properties of N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 162647842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).