4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide

C17H14F5NO4 — CID 55474776

IUPAC4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)ccc1OC(F)F
InChIInChI=1S/C17H14F5NO4/c1-25-14-8-10(2-7-13(14)27-16(18)19)15(24)23-11-3-5-12(6-4-11)26-9-17(20,21)22/h2-8,16H,9H2,1H3,(H,23,24)
InChIKeyNKFMFVHEOJBHLO-UHFFFAOYSA-N
MW391.29 g/mol
LogP4.49
Rot. Bonds7

About 4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide

4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 55474776) has the molecular formula C17H14F5NO4 and a molecular weight of 391.29 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID55474776
Molecular FormulaC17H14F5NO4
Molecular Weight391.29 g/mol
Exact Mass391.08
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)ccc1OC(F)F
InChIInChI=1S/C17H14F5NO4/c1-25-14-8-10(2-7-13(14)27-16(18)19)15(24)23-11-3-5-12(6-4-11)26-9-17(20,21)22/h2-8,16H,9H2,1H3,(H,23,24)
InChIKeyNKFMFVHEOJBHLO-UHFFFAOYSA-N
XLogP4.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 8503672
1-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-3-(4-methoxyphenyl)thiourea
CID 1000420
4-(difluoromethoxy)-3-methoxy-N-(4-sulfamoylphenyl)benzamide
CID 9314405
N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55762006
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55606042
4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 2392872
6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 134010368
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
CID 55727946

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 55474776) is 4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is NKFMFVHEOJBHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5NO4/c1-25-14-8-10(2-7-13(14)27-16(18)19)15(24)23-11-3-5-12(6-4-11)26-9-17(20,21)22/h2-8,16H,9H2,1H3,(H,23,24).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 391.29 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 55474776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).