N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide

C20H16F3NO2 — CID 95367365

IUPACN-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)19(26,15-9-2-1-3-10-15)13-24-18(25)17-12-6-8-14-7-4-5-11-16(14)17/h1-12,26H,13H2,(H,24,25)/t19-/m1/s1
InChIKeyYWKSSEIJOHNRGJ-LJQANCHMSA-N
MW359.35 g/mol
LogP4.02
Rot. Bonds4

About N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide

N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide (PubChem CID 95367365) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide
PubChem CID95367365
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC NameN-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)19(26,15-9-2-1-3-10-15)13-24-18(25)17-12-6-8-14-7-4-5-11-16(14)17/h1-12,26H,13H2,(H,24,25)/t19-/m1/s1
InChIKeyYWKSSEIJOHNRGJ-LJQANCHMSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497940
N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide
CID 104858075
2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497973
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 95367357
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577
N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
CID 71782562
2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119315270
2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 95376486
7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide
CID 56764219
1-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 119769244
2-chloro-4-nitro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90498003
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide (CID 95367365) is N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide is O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc2ccccc12.
What is the InChIKey of N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide?
The InChIKey is YWKSSEIJOHNRGJ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H16F3NO2/c21-20(22,23)19(26,15-9-2-1-3-10-15)13-24-18(25)17-12-6-8-14-7-4-5-11-16(14)17/h1-12,26H,13H2,(H,24,25)/t19-/m1/s1.
What are the key properties of N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide?
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide is sourced from PubChem (CID 95367365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).