2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide

C19H14F3NO2 — CID 721381

IUPAC2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
SMILESO=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)C(F)(F)F
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)18(25)23-17(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-15(16)24/h1-11,17,24H,(H,23,25)/t17-/m0/s1
InChIKeyFXDVXIHUTSMGQI-KRWDZBQOSA-N
MW345.32 g/mol
LogP4.31
Rot. Bonds3

About 2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide

2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide (PubChem CID 721381) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
PubChem CID721381
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
SMILESO=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)C(F)(F)F
InChIInChI=1S/C19H14F3NO2/c20-19(21,22)18(25)23-17(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-15(16)24/h1-11,17,24H,(H,23,25)/t17-/m0/s1
InChIKeyFXDVXIHUTSMGQI-KRWDZBQOSA-N
XLogP4.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide
CID 19166399
N-[(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]furan-2-carboxamide
CID 721385
[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
CID 101497401
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 19165242
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112
2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide
CID 55451553
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3,5-dinitrobenzamide
CID 19165231
1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 42954212
2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide
CID 134025883

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide (CID 721381) is 2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide is O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide?
The InChIKey is FXDVXIHUTSMGQI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H14F3NO2/c20-19(21,22)18(25)23-17(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-15(16)24/h1-11,17,24H,(H,23,25)/t17-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide?
2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide has a molecular weight of 345.32 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 721381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).