N-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide

C20H16BrFN2O2 — CID 86954118

IUPACN-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide
SMILESCc1ccc(C(=O)N(C)c2ccc(Br)cc2F)cc1Oc1ccncc1
InChIInChI=1S/C20H16BrFN2O2/c1-13-3-4-14(11-19(13)26-16-7-9-23-10-8-16)20(25)24(2)18-6-5-15(21)12-17(18)22/h3-12H,1-2H3
InChIKeyNFCLXYCMMABUAM-UHFFFAOYSA-N
MW415.26 g/mol
LogP5.36
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide

N-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide (PubChem CID 86954118) has the molecular formula C20H16BrFN2O2 and a molecular weight of 415.26 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide
PubChem CID86954118
Molecular FormulaC20H16BrFN2O2
Molecular Weight415.26 g/mol
Exact Mass414.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide
SMILESCc1ccc(C(=O)N(C)c2ccc(Br)cc2F)cc1Oc1ccncc1
InChIInChI=1S/C20H16BrFN2O2/c1-13-3-4-14(11-19(13)26-16-7-9-23-10-8-16)20(25)24(2)18-6-5-15(21)12-17(18)22/h3-12H,1-2H3
InChIKeyNFCLXYCMMABUAM-UHFFFAOYSA-N
XLogP5.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.26
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide (CID 86954118) is N-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide is Cc1ccc(C(=O)N(C)c2ccc(Br)cc2F)cc1Oc1ccncc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide?
The InChIKey is NFCLXYCMMABUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN2O2/c1-13-3-4-14(11-19(13)26-16-7-9-23-10-8-16)20(25)24(2)18-6-5-15(21)12-17(18)22/h3-12H,1-2H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide?
N-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide has a molecular weight of 415.26 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-N,4-dimethyl-3-pyridin-4-yloxybenzamide is sourced from PubChem (CID 86954118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).