2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide

C19H16BrF2N3O2 — CID 112823646

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccc(F)cc2Br)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16BrF2N3O2/c1-11-9-18(25(24-11)15-6-3-13(21)4-7-15)23-19(26)12(2)27-17-8-5-14(22)10-16(17)20/h3-10,12H,1-2H3,(H,23,26)
InChIKeyHITSPXQXAHNELZ-UHFFFAOYSA-N
MW436.26 g/mol
LogP4.63
Rot. Bonds5

About 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide

2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide (PubChem CID 112823646) has the molecular formula C19H16BrF2N3O2 and a molecular weight of 436.26 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
PubChem CID112823646
Molecular FormulaC19H16BrF2N3O2
Molecular Weight436.26 g/mol
Exact Mass435.04
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccc(F)cc2Br)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16BrF2N3O2/c1-11-9-18(25(24-11)15-6-3-13(21)4-7-15)23-19(26)12(2)27-17-8-5-14(22)10-16(17)20/h3-10,12H,1-2H3,(H,23,26)
InChIKeyHITSPXQXAHNELZ-UHFFFAOYSA-N
XLogP4.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.26
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide
CID 45153613
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylpentanamide
CID 112805733
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 92861794
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
2-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]pentanamide
CID 119266330
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728755
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 8728791
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(2-chlorophenyl)propanamide
CID 8728698
2-bromo-N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 78835917
4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805768
(2R)-N-(4-bromo-3-methylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880903
2-(2-bromo-4-fluorophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 18280186

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide (CID 112823646) is 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide is Cc1cc(NC(=O)C(C)Oc2ccc(F)cc2Br)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
The InChIKey is HITSPXQXAHNELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF2N3O2/c1-11-9-18(25(24-11)15-6-3-13(21)4-7-15)23-19(26)12(2)27-17-8-5-14(22)10-16(17)20/h3-10,12H,1-2H3,(H,23,26).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide?
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide has a molecular weight of 436.26 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 112823646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).