N-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide

C21H19N5O — CID 46884150

IUPACN-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)Cc1nn[nH]n1)c1ccc2ccccc2c1
InChIInChI=1S/C21H19N5O/c27-21(18-11-10-16-8-4-5-9-17(16)13-18)22-19(14-20-23-25-26-24-20)12-15-6-2-1-3-7-15/h1-11,13,19H,12,14H2,(H,22,27)(H,23,24,25,26)/t19-/m1/s1
InChIKeyWIXDNONHKDPKCM-LJQANCHMSA-N
MW357.42 g/mol
LogP2.94
Rot. Bonds6

About N-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide

N-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide (PubChem CID 46884150) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide
PubChem CID46884150
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)Cc1nn[nH]n1)c1ccc2ccccc2c1
InChIInChI=1S/C21H19N5O/c27-21(18-11-10-16-8-4-5-9-17(16)13-18)22-19(14-20-23-25-26-24-20)12-15-6-2-1-3-7-15/h1-11,13,19H,12,14H2,(H,22,27)(H,23,24,25,26)/t19-/m1/s1
InChIKeyWIXDNONHKDPKCM-LJQANCHMSA-N
XLogP2.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide (CID 46884150) is N-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide is O=C(N[C@H](Cc1ccccc1)Cc1nn[nH]n1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide?
The InChIKey is WIXDNONHKDPKCM-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19N5O/c27-21(18-11-10-16-8-4-5-9-17(16)13-18)22-19(14-20-23-25-26-24-20)12-15-6-2-1-3-7-15/h1-11,13,19H,12,14H2,(H,22,27)(H,23,24,25,26)/t19-/m1/s1.
What are the key properties of N-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide?
N-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-phenyl-3-(2H-tetrazol-5-yl)propan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 46884150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).