2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide

C10H8Br2ClF2NO2 — CID 107903695

IUPAC2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C10H8Br2ClF2NO2/c1-4(11)9(17)16-7-3-5(13)2-6(12)8(7)18-10(14)15/h2-4,10H,1H3,(H,16,17)
InChIKeyBZNUBECWMSWUIT-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.43
Rot. Bonds4

About 2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide

2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide (PubChem CID 107903695) has the molecular formula C10H8Br2ClF2NO2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide
PubChem CID107903695
Molecular FormulaC10H8Br2ClF2NO2
Molecular Weight407.44 g/mol
Exact Mass404.86
IUPAC Name2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C10H8Br2ClF2NO2/c1-4(11)9(17)16-7-3-5(13)2-6(12)8(7)18-10(14)15/h2-4,10H,1H3,(H,16,17)
InChIKeyBZNUBECWMSWUIT-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887594
3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide
CID 60836516
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
CID 43698111
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide
CID 60847638
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide
CID 16613969
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 16613952
5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18153355
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)acetamide
CID 16613982
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 18287143
(E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 16613980
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
CID 60866382
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-nitrobenzamide
CID 16613954

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide (CID 107903695) is 2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide is CC(Br)C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F.
What is the InChIKey of 2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide?
The InChIKey is BZNUBECWMSWUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2ClF2NO2/c1-4(11)9(17)16-7-3-5(13)2-6(12)8(7)18-10(14)15/h2-4,10H,1H3,(H,16,17).
What are the key properties of 2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide?
2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide has a molecular weight of 407.44 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 107903695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).