N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide

C15H8F6N2O3 — CID 134104747

IUPACN-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide
SMILESO=C(NC(=O)c1c(F)c(F)cc(F)c1F)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C15H8F6N2O3/c16-8-5-9(17)12(19)10(11(8)18)13(24)23-15(25)22-6-2-1-3-7(4-6)26-14(20)21/h1-5,14H,(H2,22,23,24,25)
InChIKeyGBXZTBQNINTPTL-UHFFFAOYSA-N
MW378.23 g/mol
LogP3.81
Rot. Bonds4

About N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide

N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide (PubChem CID 134104747) has the molecular formula C15H8F6N2O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide
PubChem CID134104747
Molecular FormulaC15H8F6N2O3
Molecular Weight378.23 g/mol
Exact Mass378.04
IUPAC NameN-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide
SMILESO=C(NC(=O)c1c(F)c(F)cc(F)c1F)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C15H8F6N2O3/c16-8-5-9(17)12(19)10(11(8)18)13(24)23-15(25)22-6-2-1-3-7(4-6)26-14(20)21/h1-5,14H,(H2,22,23,24,25)
InChIKeyGBXZTBQNINTPTL-UHFFFAOYSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea
CID 47039486
N-[1-[3-(difluoromethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55742227
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide
CID 79782174
1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47039459
N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide
CID 62638211
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497227
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide (CID 134104747) is N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide is O=C(NC(=O)c1c(F)c(F)cc(F)c1F)Nc1cccc(OC(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide?
The InChIKey is GBXZTBQNINTPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2O3/c16-8-5-9(17)12(19)10(11(8)18)13(24)23-15(25)22-6-2-1-3-7(4-6)26-14(20)21/h1-5,14H,(H2,22,23,24,25).
What are the key properties of N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide?
N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide has a molecular weight of 378.23 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,3,5,6-tetrafluorobenzamide is sourced from PubChem (CID 134104747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).