N-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide

C18H18BrF3NO4P — CID 71174212

IUPACN-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide
SMILESCCOP(OCC)c1cc(Br)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H18BrF3NO4P/c1-3-25-28(26-4-2)16-11-13(19)7-10-15(16)23-17(24)12-5-8-14(9-6-12)27-18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
InChIKeySGOGBEXDVVNZTH-UHFFFAOYSA-N
MW480.22 g/mol
LogP5.61
Rot. Bonds8

About N-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide

N-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide (PubChem CID 71174212) has the molecular formula C18H18BrF3NO4P and a molecular weight of 480.22 g/mol. Its IUPAC name is N-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide
PubChem CID71174212
Molecular FormulaC18H18BrF3NO4P
Molecular Weight480.22 g/mol
Exact Mass479.01
IUPAC NameN-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide
SMILESCCOP(OCC)c1cc(Br)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H18BrF3NO4P/c1-3-25-28(26-4-2)16-11-13(19)7-10-15(16)23-17(24)12-5-8-14(9-6-12)27-18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24)
InChIKeySGOGBEXDVVNZTH-UHFFFAOYSA-N
XLogP5.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.22
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 55905383
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075
methyl 4-[[4-bromo-2-(trifluoromethoxy)phenyl]carbamoyl]benzoate
CID 99793528
methyl 3-amino-4-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 122424116
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 55891215
N-[7-[(4-bromobenzoyl)amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 54468916
5-iodo-2-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid
CID 45345893
N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide
CID 2107466
N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide
CID 2441416
N-(4-bromo-2-iodophenyl)-4-propoxybenzamide
CID 3888317

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide (CID 71174212) is N-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide is CCOP(OCC)c1cc(Br)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is SGOGBEXDVVNZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF3NO4P/c1-3-25-28(26-4-2)16-11-13(19)7-10-15(16)23-17(24)12-5-8-14(9-6-12)27-18(20,21)22/h5-11H,3-4H2,1-2H3,(H,23,24).
What are the key properties of N-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide?
N-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 480.22 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-diethoxyphosphanylphenyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71174212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).