(2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide

C17H15F3N2O5 — CID 7473538

IUPAC(2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15F3N2O5/c1-10(27-15-8-7-13(26-2)9-14(15)22(24)25)16(23)21-12-5-3-11(4-6-12)17(18,19)20/h3-10H,1-2H3,(H,21,23)/t10-/m1/s1
InChIKeyOFXRNCXZKHSZNQ-SNVBAGLBSA-N
MW384.31 g/mol
LogP4.03
Rot. Bonds6

About (2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide

(2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 7473538) has the molecular formula C17H15F3N2O5 and a molecular weight of 384.31 g/mol. Its IUPAC name is (2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID7473538
Molecular FormulaC17H15F3N2O5
Molecular Weight384.31 g/mol
Exact Mass384.09
IUPAC Name(2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15F3N2O5/c1-10(27-15-8-7-13(26-2)9-14(15)22(24)25)16(23)21-12-5-3-11(4-6-12)17(18,19)20/h3-10H,1-2H3,(H,21,23)/t10-/m1/s1
InChIKeyOFXRNCXZKHSZNQ-SNVBAGLBSA-N
XLogP4.03
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide
CID 154763377
(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941065
(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176243
(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7990797
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
CID 8947121
(2S)-2-(2-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 7819322
(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-ethoxy-3-nitrobenzoate
CID 55362007
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide
CID 8886627
(2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 40769007
2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide
CID 8886770
(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 7473538) is (2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide is COc1ccc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is OFXRNCXZKHSZNQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15F3N2O5/c1-10(27-15-8-7-13(26-2)9-14(15)22(24)25)16(23)21-12-5-3-11(4-6-12)17(18,19)20/h3-10H,1-2H3,(H,21,23)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide?
(2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 384.31 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 7473538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).