2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide

C10H9Br2F2NO — CID 62854822

IUPAC2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C10H9Br2F2NO/c1-2-6(11)10(16)15-9-7(12)3-5(13)4-8(9)14/h3-4,6H,2H2,1H3,(H,15,16)
InChIKeyCBQNXRACCSEKMT-UHFFFAOYSA-N
MW356.99 g/mol
LogP3.84
Rot. Bonds3

About 2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide

2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide (PubChem CID 62854822) has the molecular formula C10H9Br2F2NO and a molecular weight of 356.99 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide
PubChem CID62854822
Molecular FormulaC10H9Br2F2NO
Molecular Weight356.99 g/mol
Exact Mass354.90
IUPAC Name2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C10H9Br2F2NO/c1-2-6(11)10(16)15-9-7(12)3-5(13)4-8(9)14/h3-4,6H,2H2,1H3,(H,15,16)
InChIKeyCBQNXRACCSEKMT-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.99
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromo-4,6-difluoroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496506
2-amino-N-(2-bromo-4,6-difluorophenyl)-3-methoxypropanamide
CID 81081448
2-amino-N-(2-bromo-4,6-difluorophenyl)-2-ethylbutanamide
CID 79809416
(2S)-2-amino-N-(2-bromo-4,6-difluorophenyl)-4-methylsulfanylbutanamide
CID 61149337
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
2-[(2-bromo-4,6-difluorophenyl)carbamoyl-butan-2-ylamino]acetic acid
CID 61196347
1-(2-bromo-4,6-difluorophenyl)-3-butylurea
CID 113218580
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454
3-amino-N-(2-bromo-4,6-difluorophenyl)-2-phenylpropanamide
CID 62877990
2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]pentanoic acid
CID 61196156
2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide
CID 43168324
N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
CID 17068588

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide?
The IUPAC name of 2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide (CID 62854822) is 2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide?
The canonical SMILES for 2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide is CCC(Br)C(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide?
The InChIKey is CBQNXRACCSEKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2F2NO/c1-2-6(11)10(16)15-9-7(12)3-5(13)4-8(9)14/h3-4,6H,2H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide?
2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide has a molecular weight of 356.99 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide is sourced from PubChem (CID 62854822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).