N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide

C16H13F3N2O4 — CID 8961150

IUPACN-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O4/c17-16(18,19)12-3-1-2-11(8-12)15(23)20-9-14(22)10-4-6-13(7-5-10)21(24)25/h1-8,14,22H,9H2,(H,20,23)/t14-/m0/s1
InChIKeyUNIGYPHRMPVVFW-AWEZNQCLSA-N
MW354.28 g/mol
LogP3.08
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide

N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 8961150) has the molecular formula C16H13F3N2O4 and a molecular weight of 354.28 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID8961150
Molecular FormulaC16H13F3N2O4
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC NameN-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O4/c17-16(18,19)12-3-1-2-11(8-12)15(23)20-9-14(22)10-4-6-13(7-5-10)21(24)25/h1-8,14,22H,9H2,(H,20,23)/t14-/m0/s1
InChIKeyUNIGYPHRMPVVFW-AWEZNQCLSA-N
XLogP3.08
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(4-nitrophenyl)propyl]-3-(trifluoromethyl)benzamide
CID 1297065
N-[(2R)-2-(4-nitrophenyl)propyl]-3-(trifluoromethyl)benzamide
CID 1297064
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-nitrobenzamide
CID 110888918
3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 41176072
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethylbenzamide
CID 40952776
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2980848
3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 56765428
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide
CID 43004373
N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 1259278
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-nitrobenzamide
CID 90534706
N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide
CID 42908904

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide (CID 8961150) is N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide is O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UNIGYPHRMPVVFW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13F3N2O4/c17-16(18,19)12-3-1-2-11(8-12)15(23)20-9-14(22)10-4-6-13(7-5-10)21(24)25/h1-8,14,22H,9H2,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide?
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 354.28 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 8961150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).