2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

C18H17F3N2O4 — CID 31950827

IUPAC2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H17F3N2O4/c1-2-9-27-16-8-7-13(18(19,20)21)11-14(16)22-17(24)10-12-5-3-4-6-15(12)23(25)26/h3-8,11H,2,9-10H2,1H3,(H,22,24)
InChIKeyRLNSMAAZJIKKCS-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.58
Rot. Bonds7

About 2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 31950827) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID31950827
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Name2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H17F3N2O4/c1-2-9-27-16-8-7-13(18(19,20)21)11-14(16)22-17(24)10-12-5-3-4-6-15(12)23(25)26/h3-8,11H,2,9-10H2,1H3,(H,22,24)
InChIKeyRLNSMAAZJIKKCS-UHFFFAOYSA-N
XLogP4.58
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
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

2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(2-propoxyphenyl)acetamide
CID 30725586
2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7865146
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 52847984
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
2-(4-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 8800716
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264
2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7467801
2-(5-acetyl-2-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 16557123
2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 956534
2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7762762

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (CID 31950827) is 2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RLNSMAAZJIKKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c1-2-9-27-16-8-7-13(18(19,20)21)11-14(16)22-17(24)10-12-5-3-4-6-15(12)23(25)26/h3-8,11H,2,9-10H2,1H3,(H,22,24).
What are the key properties of 2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 382.34 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 31950827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).