N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide

C20H15BrF2N2O3 — CID 52834353

IUPACN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide
SMILESO=C(NCc1cc(Br)ccc1OC(F)F)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C20H15BrF2N2O3/c21-15-5-8-18(28-20(22)23)14(10-15)11-25-19(26)13-3-6-16(7-4-13)27-17-2-1-9-24-12-17/h1-10,12,20H,11H2,(H,25,26)
InChIKeyWYBANTOCVOZNDV-UHFFFAOYSA-N
MW449.25 g/mol
LogP5.17
Rot. Bonds7

About N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide (PubChem CID 52834353) has the molecular formula C20H15BrF2N2O3 and a molecular weight of 449.25 g/mol. Its IUPAC name is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide
PubChem CID52834353
Molecular FormulaC20H15BrF2N2O3
Molecular Weight449.25 g/mol
Exact Mass448.02
IUPAC NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide
SMILESO=C(NCc1cc(Br)ccc1OC(F)F)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C20H15BrF2N2O3/c21-15-5-8-18(28-20(22)23)14(10-15)11-25-19(26)13-3-6-16(7-4-13)27-17-2-1-9-24-12-17/h1-10,12,20H,11H2,(H,25,26)
InChIKeyWYBANTOCVOZNDV-UHFFFAOYSA-N
XLogP5.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.25
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 43756632
N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide
CID 143062034
3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide
CID 60615050
3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide
CID 60622603
3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide
CID 58858303
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 154659672
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 82686505
(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119313626
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 71868680
4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide
CID 119313649
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methylbutanamide
CID 120500084
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide?
The IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide (CID 52834353) is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide is O=C(NCc1cc(Br)ccc1OC(F)F)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide?
The InChIKey is WYBANTOCVOZNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrF2N2O3/c21-15-5-8-18(28-20(22)23)14(10-15)11-25-19(26)13-3-6-16(7-4-13)27-17-2-1-9-24-12-17/h1-10,12,20H,11H2,(H,25,26).
What are the key properties of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide?
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide has a molecular weight of 449.25 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide is sourced from PubChem (CID 52834353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).