3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide

C18H20BrNO2 — CID 55872825

IUPAC3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCc1ccccc1Br
InChIInChI=1S/C18H20BrNO2/c1-13(2)22-17-10-6-5-9-16(17)20-18(21)12-11-14-7-3-4-8-15(14)19/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyABEOHIFFXVAQTE-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.81
Rot. Bonds6

About 3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide

3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 55872825) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID55872825
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCc1ccccc1Br
InChIInChI=1S/C18H20BrNO2/c1-13(2)22-17-10-6-5-9-16(17)20-18(21)12-11-14-7-3-4-8-15(14)19/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyABEOHIFFXVAQTE-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride
CID 120608791
3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 38999781
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109012857
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
3-(2-chlorophenyl)-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 17179049
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110678896
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide (CID 55872825) is 3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccccc1NC(=O)CCc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is ABEOHIFFXVAQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-13(2)22-17-10-6-5-9-16(17)20-18(21)12-11-14-7-3-4-8-15(14)19/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 362.27 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 55872825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).