N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide

C14H11BrCl2N2O2 — CID 45147954

IUPACN-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide
SMILESCC(Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H11BrCl2N2O2/c1-8(21-12-6-10(16)3-4-11(12)17)14(20)19-13-5-2-9(15)7-18-13/h2-8H,1H3,(H,18,19,20)
InChIKeyUBNCUZMEANUDIL-UHFFFAOYSA-N
MW390.06 g/mol
LogP4.56
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide

N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide (PubChem CID 45147954) has the molecular formula C14H11BrCl2N2O2 and a molecular weight of 390.06 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide
PubChem CID45147954
Molecular FormulaC14H11BrCl2N2O2
Molecular Weight390.06 g/mol
Exact Mass387.94
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide
SMILESCC(Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H11BrCl2N2O2/c1-8(21-12-6-10(16)3-4-11(12)17)14(20)19-13-5-2-9(15)7-18-13/h2-8H,1H3,(H,18,19,20)
InChIKeyUBNCUZMEANUDIL-UHFFFAOYSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.06
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2939243
2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide
CID 45147944
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
(2R)-2-(2,5-dichlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2588733
(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 903590
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
(2R)-2-(2,5-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 7185247
(2S)-2-(2,5-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 7269908
N-(5-bromo-2-pyridinyl)-2,2-bis(4-chlorophenyl)acetamide
CID 66848488
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-bromo-2-fluorobenzoate
CID 9387991
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide (CID 45147954) is N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide is CC(Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide?
The InChIKey is UBNCUZMEANUDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O2/c1-8(21-12-6-10(16)3-4-11(12)17)14(20)19-13-5-2-9(15)7-18-13/h2-8H,1H3,(H,18,19,20).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide?
N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide has a molecular weight of 390.06 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide is sourced from PubChem (CID 45147954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).