N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide

C11H14Br2N2O — CID 60842016

IUPACN-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2N2O/c1-7(2)14-6-11(16)15-10-5-8(12)3-4-9(10)13/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyWRMRSSMJRNYAKC-UHFFFAOYSA-N
MW350.05 g/mol
LogP3.15
Rot. Bonds4

About N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide

N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 60842016) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide
PubChem CID60842016
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC NameN-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2N2O/c1-7(2)14-6-11(16)15-10-5-8(12)3-4-9(10)13/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyWRMRSSMJRNYAKC-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852007
N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107625152
2-chloro-N-(2,5-dibromophenyl)acetamide
CID 3433301
N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 54917894
3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide
CID 104502256
1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea
CID 51945845
N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 166661327
2-bromo-N-(2,5-dibromophenyl)butanamide
CID 62856561
2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide
CID 43714180
4-chloro-N-(2,5-dibromophenyl)butanamide
CID 63307782
3-(tert-butylamino)-N-(2,5-dibromophenyl)propanamide
CID 60851334
(2S,3R)-2-[(2,5-dibromophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966010

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide (CID 60842016) is N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is WRMRSSMJRNYAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c1-7(2)14-6-11(16)15-10-5-8(12)3-4-9(10)13/h3-5,7,14H,6H2,1-2H3,(H,15,16).
What are the key properties of N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide?
N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 350.05 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60842016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).