(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide

C16H16BrNO3 — CID 7899999

IUPAC(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO3/c1-11(21-15-7-3-12(17)4-8-15)16(19)18-13-5-9-14(20-2)10-6-13/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyPQXHIUHJJCUCGQ-NSHDSACASA-N
MW350.21 g/mol
LogP3.86
Rot. Bonds5

About (2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide

(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide (PubChem CID 7899999) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
PubChem CID7899999
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO3/c1-11(21-15-7-3-12(17)4-8-15)16(19)18-13-5-9-14(20-2)10-6-13/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyPQXHIUHJJCUCGQ-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

N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 2953803
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 2793539
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2952531
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide (CID 7899999) is (2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide?
The InChIKey is PQXHIUHJJCUCGQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-11(21-15-7-3-12(17)4-8-15)16(19)18-13-5-9-14(20-2)10-6-13/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide?
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)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)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 7899999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).