N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide

C16H13F3N2O5 — CID 541150

IUPACN-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
SMILESCOc1cc([N+](=O)[O-])c(NC(C)=O)cc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O5/c1-9(22)20-12-7-15(14(25-2)8-13(12)21(23)24)26-11-5-3-4-10(6-11)16(17,18)19/h3-8H,1-2H3,(H,20,22)
InChIKeyMDOIAGZEKJUNNZ-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.37
Rot. Bonds5

About N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide

N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide (PubChem CID 541150) has the molecular formula C16H13F3N2O5 and a molecular weight of 370.28 g/mol. Its IUPAC name is N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
PubChem CID541150
Molecular FormulaC16H13F3N2O5
Molecular Weight370.28 g/mol
Exact Mass370.08
IUPAC NameN-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
SMILESCOc1cc([N+](=O)[O-])c(NC(C)=O)cc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O5/c1-9(22)20-12-7-15(14(25-2)8-13(12)21(23)24)26-11-5-3-4-10(6-11)16(17,18)19/h3-8H,1-2H3,(H,20,22)
InChIKeyMDOIAGZEKJUNNZ-UHFFFAOYSA-N
XLogP4.37
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.37
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-(4,5-dimethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 110443180
N-[5-[3-(3-acetamido-4-nitrophenoxy)phenoxy]-2-nitrophenyl]acetamide
CID 142761150
methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate
CID 110459513
N-(4-methoxyphenyl)-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 1250349
2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 11058632
1-(5-methoxy-2-nitro-4-phenoxyphenyl)ethanone
CID 91416807
1-methoxy-3-nitro-5-[3-(trifluoromethyl)phenoxy]benzene
CID 166074049
1-(4,5-dimethoxy-2-nitrophenyl)-3-phenylurea
CID 110446745
8-nitro-5-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 4795340
2-nitro-4-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 166073971
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211151
3,4-dimethoxy-N-[(E)-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]benzamide
CID 126332450

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide?
The IUPAC name of N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide (CID 541150) is N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide is COc1cc([N+](=O)[O-])c(NC(C)=O)cc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide?
The InChIKey is MDOIAGZEKJUNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O5/c1-9(22)20-12-7-15(14(25-2)8-13(12)21(23)24)26-11-5-3-4-10(6-11)16(17,18)19/h3-8H,1-2H3,(H,20,22).
What are the key properties of N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide?
N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide has a molecular weight of 370.28 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide is sourced from PubChem (CID 541150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).