N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

C21H16F3N5O — CID 151494065

IUPACN-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)c1nn[nH]n1
InChIInChI=1S/C21H16F3N5O/c1-12(19-26-28-29-27-19)25-20(30)15-7-10-18-14(11-15)3-2-4-17(18)13-5-8-16(9-6-13)21(22,23)24/h2-12H,1H3,(H,25,30)(H,26,27,28,29)/t12-/m0/s1
InChIKeyPPBHBEPLLUKBEW-LBPRGKRZSA-N
MW411.39 g/mol
LogP4.53
Rot. Bonds4

About N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 151494065) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
PubChem CID151494065
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC NameN-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)c1nn[nH]n1
InChIInChI=1S/C21H16F3N5O/c1-12(19-26-28-29-27-19)25-20(30)15-7-10-18-14(11-15)3-2-4-17(18)13-5-8-16(9-6-13)21(22,23)24/h2-12H,1H3,(H,25,30)(H,26,27,28,29)/t12-/m0/s1
InChIKeyPPBHBEPLLUKBEW-LBPRGKRZSA-N
XLogP4.53
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 148790722
N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 151299396
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 60911386
3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62920337
N-(4-methylsulfonylbut-3-enyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 175159989
N-[(E)-4-methylsulfonylbut-3-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 146780230
3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114103230
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 175159865
N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 167367509
N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]tetrazolo[1,5-a]quinoline-8-carboxamide
CID 156785667

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (CID 151494065) is N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is C[C@H](NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)c1nn[nH]n1.
What is the InChIKey of N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is PPBHBEPLLUKBEW-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H16F3N5O/c1-12(19-26-28-29-27-19)25-20(30)15-7-10-18-14(11-15)3-2-4-17(18)13-5-8-16(9-6-13)21(22,23)24/h2-12H,1H3,(H,25,30)(H,26,27,28,29)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 411.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 151494065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).