(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide

C18H18BrNO3 — CID 7788127

IUPAC(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
SMILESCCC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H18BrNO3/c1-3-17(21)13-4-10-16(11-5-13)23-12(2)18(22)20-15-8-6-14(19)7-9-15/h4-12H,3H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyHKZMMIDCSIVQMY-GFCCVEGCSA-N
MW376.25 g/mol
LogP4.45
Rot. Bonds6

About (2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide

(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide (PubChem CID 7788127) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is (2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
PubChem CID7788127
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
SMILESCCC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H18BrNO3/c1-3-17(21)13-4-10-16(11-5-13)23-12(2)18(22)20-15-8-6-14(19)7-9-15/h4-12H,3H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyHKZMMIDCSIVQMY-GFCCVEGCSA-N
XLogP4.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
CID 2204242
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide
CID 39949041
(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
CID 94842128
(2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788153

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide?
The IUPAC name of (2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide (CID 7788127) is (2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide is CCC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of (2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide?
The InChIKey is HKZMMIDCSIVQMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-3-17(21)13-4-10-16(11-5-13)23-12(2)18(22)20-15-8-6-14(19)7-9-15/h4-12H,3H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide?
(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide has a molecular weight of 376.25 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide is sourced from PubChem (CID 7788127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).