N-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide

C20H17N5O — CID 46884183

IUPACN-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)c1nn[nH]n1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17N5O/c26-20(17-11-10-15-8-4-5-9-16(15)13-17)21-18(19-22-24-25-23-19)12-14-6-2-1-3-7-14/h1-11,13,18H,12H2,(H,21,26)(H,22,23,24,25)/t18-/m1/s1
InChIKeyZYHAPUYCNBPQOO-GOSISDBHSA-N
MW343.39 g/mol
LogP3.07
Rot. Bonds5

About N-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide

N-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide (PubChem CID 46884183) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide
PubChem CID46884183
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)c1nn[nH]n1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17N5O/c26-20(17-11-10-15-8-4-5-9-16(15)13-17)21-18(19-22-24-25-23-19)12-14-6-2-1-3-7-14/h1-11,13,18H,12H2,(H,21,26)(H,22,23,24,25)/t18-/m1/s1
InChIKeyZYHAPUYCNBPQOO-GOSISDBHSA-N
XLogP3.07
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide (CID 46884183) is N-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide is O=C(N[C@H](Cc1ccccc1)c1nn[nH]n1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide?
The InChIKey is ZYHAPUYCNBPQOO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17N5O/c26-20(17-11-10-15-8-4-5-9-16(15)13-17)21-18(19-22-24-25-23-19)12-14-6-2-1-3-7-14/h1-11,13,18H,12H2,(H,21,26)(H,22,23,24,25)/t18-/m1/s1.
What are the key properties of N-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide?
N-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 46884183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).