N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide

C15H18F5NO3 — CID 55661909

IUPACN-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C15H18F5NO3/c1-3-4-7-21(9-15(18,19)20)13(22)10-5-6-11(24-14(16)17)12(8-10)23-2/h5-6,8,14H,3-4,7,9H2,1-2H3
InChIKeyMOMYTZSXPJUNLX-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.10
Rot. Bonds8

About N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide

N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55661909) has the molecular formula C15H18F5NO3 and a molecular weight of 355.30 g/mol. Its IUPAC name is N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55661909
Molecular FormulaC15H18F5NO3
Molecular Weight355.30 g/mol
Exact Mass355.12
IUPAC NameN-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C15H18F5NO3/c1-3-4-7-21(9-15(18,19)20)13(22)10-5-6-11(24-14(16)17)12(8-10)23-2/h5-6,8,14H,3-4,7,9H2,1-2H3
InChIKeyMOMYTZSXPJUNLX-UHFFFAOYSA-N
XLogP4.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(difluoromethoxy)-3-methoxybenzoyl]-propylamino]acetic acid
CID 119204959
4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531111
N-(2-chloroethyl)-3-fluoro-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492036
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094556
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
3-bromo-N-(2-bromoethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492573
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride
CID 119584895
4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094536
4-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356507
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883501
4-[butyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-2-carboxylic acid
CID 119181552

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 55661909) is N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide is CCCCN(CC(F)(F)F)C(=O)c1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MOMYTZSXPJUNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F5NO3/c1-3-4-7-21(9-15(18,19)20)13(22)10-5-6-11(24-14(16)17)12(8-10)23-2/h5-6,8,14H,3-4,7,9H2,1-2H3.
What are the key properties of N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 355.30 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55661909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).