(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide

C19H22BrNO2 — CID 94842128

IUPAC(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
SMILESCCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrNO2/c1-3-4-5-15-6-10-17(11-7-15)21-19(22)14(2)23-18-12-8-16(20)9-13-18/h6-14H,3-5H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyHSTTXGGUXJLUIK-CQSZACIVSA-N
MW376.29 g/mol
LogP5.20
Rot. Bonds7

About (2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide

(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide (PubChem CID 94842128) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
PubChem CID94842128
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
SMILESCCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrNO2/c1-3-4-5-15-6-10-17(11-7-15)21-19(22)14(2)23-18-12-8-16(20)9-13-18/h6-14H,3-5H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyHSTTXGGUXJLUIK-CQSZACIVSA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
(2S)-N-(4-butylphenyl)-2-(2,4-dibromophenoxy)propanamide
CID 40736851
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
(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
N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2933438
N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266150
(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
CID 2204242
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide (CID 94842128) is (2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide is CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide?
The InChIKey is HSTTXGGUXJLUIK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-3-4-5-15-6-10-17(11-7-15)21-19(22)14(2)23-18-12-8-16(20)9-13-18/h6-14H,3-5H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide?
(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide has a molecular weight of 376.29 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide is sourced from PubChem (CID 94842128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).