(2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide

C16H16BrNO3 — CID 92673476

IUPAC(2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H16BrNO3/c1-11(21-13-7-5-6-12(10-13)20-2)16(19)18-15-9-4-3-8-14(15)17/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyZBWRXHRYDPOWDY-NSHDSACASA-N
MW350.21 g/mol
LogP3.86
Rot. Bonds5

About (2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide

(2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide (PubChem CID 92673476) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is (2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide
PubChem CID92673476
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name(2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H16BrNO3/c1-11(21-13-7-5-6-12(10-13)20-2)16(19)18-15-9-4-3-8-14(15)17/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyZBWRXHRYDPOWDY-NSHDSACASA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide
CID 92673477
2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 19203871
(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 95079877
(2R)-N-(2-bromophenyl)-2-(4-ethylphenoxy)propanamide
CID 9236709
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
N-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203915
N-butan-2-yl-2-[2-(3-methoxyphenoxy)propanoylamino]benzamide
CID 43877103
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
methyl 2-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]benzoate
CID 1177887
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203937
N-(2-aminophenyl)-2-(3-bromo-4-fluorophenoxy)propanamide
CID 83233140
(2R)-2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 28637146

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide (CID 92673476) is (2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide is COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Br)c1.
What is the InChIKey of (2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide?
The InChIKey is ZBWRXHRYDPOWDY-NSHDSACASA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-11(21-13-7-5-6-12(10-13)20-2)16(19)18-15-9-4-3-8-14(15)17/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide?
(2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide has a molecular weight of 350.21 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide is sourced from PubChem (CID 92673476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).