(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide

C16H16BrNO2 — CID 26157123

IUPAC(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrNO2/c1-11-6-8-15(9-7-11)20-12(2)16(19)18-14-5-3-4-13(17)10-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeySGUVRDFQBDTIST-GFCCVEGCSA-N
MW334.21 g/mol
LogP4.16
Rot. Bonds4

About (2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide

(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide (PubChem CID 26157123) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
PubChem CID26157123
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrNO2/c1-11-6-8-15(9-7-11)20-12(2)16(19)18-14-5-3-4-13(17)10-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeySGUVRDFQBDTIST-GFCCVEGCSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 1225320
(2S)-N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9172441
3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877477
N-(3-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 18076804
N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
CID 4928504
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
CID 47119298
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
(2R)-N-(4-bromo-3-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 9172923
N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184535

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide (CID 26157123) is (2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide is Cc1ccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of (2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide?
The InChIKey is SGUVRDFQBDTIST-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-6-8-15(9-7-11)20-12(2)16(19)18-14-5-3-4-13(17)10-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide?
(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide has a molecular weight of 334.21 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 26157123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).