3-(2,6-dibromophenyl)pentanediamide

C11H12Br2N2O2 — CID 20546645

IUPAC3-(2,6-dibromophenyl)pentanediamide
SMILESNC(=O)CC(CC(N)=O)c1c(Br)cccc1Br
InChIInChI=1S/C11H12Br2N2O2/c12-7-2-1-3-8(13)11(7)6(4-9(14)16)5-10(15)17/h1-3,6H,4-5H2,(H2,14,16)(H2,15,17)
InChIKeyXSBUSBDSIAPUJW-UHFFFAOYSA-N
MW364.04 g/mol
LogP2.05
Rot. Bonds5

About 3-(2,6-dibromophenyl)pentanediamide

3-(2,6-dibromophenyl)pentanediamide (PubChem CID 20546645) has the molecular formula C11H12Br2N2O2 and a molecular weight of 364.04 g/mol. Its IUPAC name is 3-(2,6-dibromophenyl)pentanediamide.

Molecular Properties

Compound Name3-(2,6-dibromophenyl)pentanediamide
PubChem CID20546645
Molecular FormulaC11H12Br2N2O2
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name3-(2,6-dibromophenyl)pentanediamide
SMILESNC(=O)CC(CC(N)=O)c1c(Br)cccc1Br
InChIInChI=1S/C11H12Br2N2O2/c12-7-2-1-3-8(13)11(7)6(4-9(14)16)5-10(15)17/h1-3,6H,4-5H2,(H2,14,16)(H2,15,17)
InChIKeyXSBUSBDSIAPUJW-UHFFFAOYSA-N
XLogP2.05
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.04
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,6-bis(methylsulfonyl)phenyl]pentanediamide
CID 20546233
4-amino-2-[(2,6-dibromophenyl)carbamoylamino]-4-oxobutanoic acid
CID 107601699
3-[3-bromo-2-(hydroxymethyl)anilino]butanamide
CID 115929266
3-(2-bromo-6-formylphenoxy)butanamide
CID 123241390
2-(2,6-dibromophenyl)butanoic acid
CID 130134758
3-(2-iodophenyl)pentanediamide
CID 20546578
3-(2-chlorophenyl)pentanediamide
CID 13034531
(3S)-3-[[(2R)-1-(2-bromophenyl)propan-2-yl]amino]butanamide
CID 97102943
(2R)-4-amino-2-[3-(3-bromophenyl)propanoylamino]-4-oxobutanoic acid
CID 107821024
(3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide
CID 78986249
3-(2-methoxyphenyl)pentanediamide
CID 20546356
4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878758

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromophenyl)pentanediamide?
The IUPAC name of 3-(2,6-dibromophenyl)pentanediamide (CID 20546645) is 3-(2,6-dibromophenyl)pentanediamide.
What is the SMILES notation for 3-(2,6-dibromophenyl)pentanediamide?
The canonical SMILES for 3-(2,6-dibromophenyl)pentanediamide is NC(=O)CC(CC(N)=O)c1c(Br)cccc1Br.
What is the InChIKey of 3-(2,6-dibromophenyl)pentanediamide?
The InChIKey is XSBUSBDSIAPUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O2/c12-7-2-1-3-8(13)11(7)6(4-9(14)16)5-10(15)17/h1-3,6H,4-5H2,(H2,14,16)(H2,15,17).
What are the key properties of 3-(2,6-dibromophenyl)pentanediamide?
3-(2,6-dibromophenyl)pentanediamide has a molecular weight of 364.04 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromophenyl)pentanediamide is sourced from PubChem (CID 20546645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).