4-chloro-N-(2,5-dibromophenyl)butanamide

C10H10Br2ClNO — CID 63307782

IUPAC4-chloro-N-(2,5-dibromophenyl)butanamide
SMILESO=C(CCCCl)Nc1cc(Br)ccc1Br
InChIInChI=1S/C10H10Br2ClNO/c11-7-3-4-8(12)9(6-7)14-10(15)2-1-5-13/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyMIMGNHJDGHXSOK-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.17
Rot. Bonds4

About 4-chloro-N-(2,5-dibromophenyl)butanamide

4-chloro-N-(2,5-dibromophenyl)butanamide (PubChem CID 63307782) has the molecular formula C10H10Br2ClNO and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-chloro-N-(2,5-dibromophenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-dibromophenyl)butanamide
PubChem CID63307782
Molecular FormulaC10H10Br2ClNO
Molecular Weight355.46 g/mol
Exact Mass352.88
IUPAC Name4-chloro-N-(2,5-dibromophenyl)butanamide
SMILESO=C(CCCCl)Nc1cc(Br)ccc1Br
InChIInChI=1S/C10H10Br2ClNO/c11-7-3-4-8(12)9(6-7)14-10(15)2-1-5-13/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyMIMGNHJDGHXSOK-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.17
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

N-(5-bromo-2-methylphenyl)-4-chlorobutanamide
CID 63307861
2-chloro-N-(2,5-dibromophenyl)acetamide
CID 3433301
2-chloro-N-[(2,5-dibromophenyl)carbamoyl]acetamide
CID 61468365
3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide
CID 60851334
N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
CID 81263840
N-(2-bromo-5-chlorophenyl)-3-chloropropanamide
CID 81263666
N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide
CID 53268191
N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide
CID 79198656
benzyl N-[4-(2,5-dibromoanilino)-4-oxobutyl]carbamate
CID 55874161
N-(2,5-dibromophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 55611380
N-(2,4-dibromophenyl)hexanamide
CID 4251482
N-(2-bromo-5-fluorophenyl)-4-hydroxybutanamide
CID 107638337

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-dibromophenyl)butanamide?
The IUPAC name of 4-chloro-N-(2,5-dibromophenyl)butanamide (CID 63307782) is 4-chloro-N-(2,5-dibromophenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(2,5-dibromophenyl)butanamide?
The canonical SMILES for 4-chloro-N-(2,5-dibromophenyl)butanamide is O=C(CCCCl)Nc1cc(Br)ccc1Br.
What is the InChIKey of 4-chloro-N-(2,5-dibromophenyl)butanamide?
The InChIKey is MIMGNHJDGHXSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2ClNO/c11-7-3-4-8(12)9(6-7)14-10(15)2-1-5-13/h3-4,6H,1-2,5H2,(H,14,15).
What are the key properties of 4-chloro-N-(2,5-dibromophenyl)butanamide?
4-chloro-N-(2,5-dibromophenyl)butanamide has a molecular weight of 355.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-dibromophenyl)butanamide is sourced from PubChem (CID 63307782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).