N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide

C10H10BrF2NO2 — CID 65498940

IUPACN-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H10BrF2NO2/c1-16-3-2-9(15)14-10-7(12)4-6(11)5-8(10)13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyPXPABRXESXYHAW-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.70
Rot. Bonds4

About N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide

N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide (PubChem CID 65498940) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
PubChem CID65498940
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H10BrF2NO2/c1-16-3-2-9(15)14-10-7(12)4-6(11)5-8(10)13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyPXPABRXESXYHAW-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide
CID 65469929
2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 81101709
5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide
CID 82852538
N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide
CID 71975409
2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81080994
5-bromo-3-(3-methoxypropanoylamino)-2-methylbenzoic acid
CID 126833558
2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate
CID 79349431
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide
CID 114145118
3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 107972354
N-(4-bromo-2,6-difluorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 65499520
N-(4-bromo-2,6-difluorophenyl)-2-methoxybenzamide
CID 65499723
N-(4-bromo-2,6-dimethylphenyl)-2-(2-methoxyethoxy)acetamide
CID 113224139

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide (CID 65498940) is N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide is COCCC(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide?
The InChIKey is PXPABRXESXYHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c1-16-3-2-9(15)14-10-7(12)4-6(11)5-8(10)13/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide?
N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide has a molecular weight of 294.10 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide is sourced from PubChem (CID 65498940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).