N-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide

C20H16FN5O — CID 46884184

IUPACN-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide
SMILESO=C(N[C@H](Cc1ccc(F)cc1)c1nn[nH]n1)c1ccc2ccccc2c1
InChIInChI=1S/C20H16FN5O/c21-17-9-5-13(6-10-17)11-18(19-23-25-26-24-19)22-20(27)16-8-7-14-3-1-2-4-15(14)12-16/h1-10,12,18H,11H2,(H,22,27)(H,23,24,25,26)/t18-/m1/s1
InChIKeyNSKKJKJEHGOOFN-GOSISDBHSA-N
MW361.38 g/mol
LogP3.21
Rot. Bonds5

About N-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide

N-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide (PubChem CID 46884184) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is N-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide
PubChem CID46884184
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC NameN-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide
SMILESO=C(N[C@H](Cc1ccc(F)cc1)c1nn[nH]n1)c1ccc2ccccc2c1
InChIInChI=1S/C20H16FN5O/c21-17-9-5-13(6-10-17)11-18(19-23-25-26-24-19)22-20(27)16-8-7-14-3-1-2-4-15(14)12-16/h1-10,12,18H,11H2,(H,22,27)(H,23,24,25,26)/t18-/m1/s1
InChIKeyNSKKJKJEHGOOFN-GOSISDBHSA-N
XLogP3.21
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide (CID 46884184) is N-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide is O=C(N[C@H](Cc1ccc(F)cc1)c1nn[nH]n1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide?
The InChIKey is NSKKJKJEHGOOFN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-17-9-5-13(6-10-17)11-18(19-23-25-26-24-19)22-20(27)16-8-7-14-3-1-2-4-15(14)12-16/h1-10,12,18H,11H2,(H,22,27)(H,23,24,25,26)/t18-/m1/s1.
What are the key properties of N-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide?
N-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(4-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 46884184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).