N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide

C12H11BrF2N2O2 — CID 103208294

IUPACN-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
SMILESN#Cc1cc(Br)ccc1NC(=O)CCOCC(F)F
InChIInChI=1S/C12H11BrF2N2O2/c13-9-1-2-10(8(5-9)6-16)17-12(18)3-4-19-7-11(14)15/h1-2,5,11H,3-4,7H2,(H,17,18)
InChIKeyTVPFTYGSJZVTQE-UHFFFAOYSA-N
MW333.13 g/mol
LogP2.93
Rot. Bonds6

About N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide

N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208294) has the molecular formula C12H11BrF2N2O2 and a molecular weight of 333.13 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208294
Molecular FormulaC12H11BrF2N2O2
Molecular Weight333.13 g/mol
Exact Mass332.00
IUPAC NameN-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
SMILESN#Cc1cc(Br)ccc1NC(=O)CCOCC(F)F
InChIInChI=1S/C12H11BrF2N2O2/c13-9-1-2-10(8(5-9)6-16)17-12(18)3-4-19-7-11(14)15/h1-2,5,11H,3-4,7H2,(H,17,18)
InChIKeyTVPFTYGSJZVTQE-UHFFFAOYSA-N
XLogP2.93
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide
CID 82707862
N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103816393
N-(4-bromo-2-cyanophenyl)-4-(methylamino)butanamide
CID 82707852
N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
CID 107697254
N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 82005179
N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide
CID 82707532
N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide
CID 82015415
N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644
N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide
CID 82707700
3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 103208634
2-(4-bromo-2-cyanoanilino)-3-methoxypropanoic acid
CID 114890227
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbutanamide
CID 82708856

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide (CID 103208294) is N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide is N#Cc1cc(Br)ccc1NC(=O)CCOCC(F)F.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is TVPFTYGSJZVTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N2O2/c13-9-1-2-10(8(5-9)6-16)17-12(18)3-4-19-7-11(14)15/h1-2,5,11H,3-4,7H2,(H,17,18).
What are the key properties of N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide?
N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 333.13 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).