(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide

C19H22BrNO2 — CID 2204242

IUPAC(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
SMILESCC[C@H](C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrNO2/c1-4-13(2)15-5-9-17(10-6-15)21-19(22)14(3)23-18-11-7-16(20)8-12-18/h5-14H,4H2,1-3H3,(H,21,22)/t13-,14-/m0/s1
InChIKeyKWVAUUPNCRAMFL-KBPBESRZSA-N
MW376.29 g/mol
LogP5.37
Rot. Bonds6

About (2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide

(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide (PubChem CID 2204242) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
PubChem CID2204242
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
SMILESCC[C@H](C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrNO2/c1-4-13(2)15-5-9-17(10-6-15)21-19(22)14(3)23-18-11-7-16(20)8-12-18/h5-14H,4H2,1-3H3,(H,21,22)/t13-,14-/m0/s1
InChIKeyKWVAUUPNCRAMFL-KBPBESRZSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide
CID 7935749
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788127
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
(2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide
CID 26561785
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
CID 94842128
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide?
The IUPAC name of (2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide (CID 2204242) is (2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide is CC[C@H](C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide?
The InChIKey is KWVAUUPNCRAMFL-KBPBESRZSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-4-13(2)15-5-9-17(10-6-15)21-19(22)14(3)23-18-11-7-16(20)8-12-18/h5-14H,4H2,1-3H3,(H,21,22)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide?
(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide has a molecular weight of 376.29 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide is sourced from PubChem (CID 2204242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).