1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide

C13H22BrNO2 — CID 144706415

IUPAC1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide
SMILESC=O.CC.CCC(N)=O.Cc1cccc(Br)c1
InChIInChI=1S/C7H7Br.C3H7NO.C2H6.CH2O/c1-6-3-2-4-7(8)5-6;1-2-3(4)5;2*1-2/h2-5H,1H3;2H2,1H3,(H2,4,5);1-2H3;1H2
InChIKeyOMCDNVQQLDWYEM-UHFFFAOYSA-N
MW304.23 g/mol
LogP3.48
Rot. Bonds1

About 1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide

1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide (PubChem CID 144706415) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide.

Molecular Properties

Compound Name1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide
PubChem CID144706415
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC Name1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide
SMILESC=O.CC.CCC(N)=O.Cc1cccc(Br)c1
InChIInChI=1S/C7H7Br.C3H7NO.C2H6.CH2O/c1-6-3-2-4-7(8)5-6;1-2-3(4)5;2*1-2/h2-5H,1H3;2H2,1H3,(H2,4,5);1-2H3;1H2
InChIKeyOMCDNVQQLDWYEM-UHFFFAOYSA-N
XLogP3.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide?
The IUPAC name of 1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide (CID 144706415) is 1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide.
What is the SMILES notation for 1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide?
The canonical SMILES for 1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide is C=O.CC.CCC(N)=O.Cc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide?
The InChIKey is OMCDNVQQLDWYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br.C3H7NO.C2H6.CH2O/c1-6-3-2-4-7(8)5-6;1-2-3(4)5;2*1-2/h2-5H,1H3;2H2,1H3,(H2,4,5);1-2H3;1H2.
What are the key properties of 1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide?
1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide has a molecular weight of 304.23 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methylbenzene;ethane;formaldehyde;propanamide is sourced from PubChem (CID 144706415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).