N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide

C22H15F5N2O4 — CID 137411002

IUPACN-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccccc2OC(F)F)c1
InChIInChI=1S/C22H15F5N2O4/c23-21(24)33-18-7-2-1-6-17(18)32-16-9-8-13(22(25,26)27)11-15(16)20(31)29-14-5-3-4-12(10-14)19(28)30/h1-11,21H,(H2,28,30)(H,29,31)
InChIKeyWHMQWVBWQYCBRH-UHFFFAOYSA-N
MW466.36 g/mol
LogP5.45
Rot. Bonds7

About N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide

N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide (PubChem CID 137411002) has the molecular formula C22H15F5N2O4 and a molecular weight of 466.36 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide
PubChem CID137411002
Molecular FormulaC22H15F5N2O4
Molecular Weight466.36 g/mol
Exact Mass466.10
IUPAC NameN-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccccc2OC(F)F)c1
InChIInChI=1S/C22H15F5N2O4/c23-21(24)33-18-7-2-1-6-17(18)32-16-9-8-13(22(25,26)27)11-15(16)20(31)29-14-5-3-4-12(10-14)19(28)30/h1-11,21H,(H2,28,30)(H,29,31)
InChIKeyWHMQWVBWQYCBRH-UHFFFAOYSA-N
XLogP5.45
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.36
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide
CID 27447613
3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide
CID 26247982
N-(3-carbamoylphenyl)-2-pentoxybenzamide
CID 26160536
N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide
CID 137406555
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
N-(3-carbamoylphenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 137406579
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
5-bromo-2-propan-2-yloxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 43887269
N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide (CID 137411002) is N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide is NC(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccccc2OC(F)F)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide?
The InChIKey is WHMQWVBWQYCBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N2O4/c23-21(24)33-18-7-2-1-6-17(18)32-16-9-8-13(22(25,26)27)11-15(16)20(31)29-14-5-3-4-12(10-14)19(28)30/h1-11,21H,(H2,28,30)(H,29,31).
What are the key properties of N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide?
N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide has a molecular weight of 466.36 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 137411002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).