(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide

C18H20BrNO2 — CID 1177364

IUPAC(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1
InChIInChI=1S/C18H20BrNO2/c1-12(2)14-7-9-16(10-8-14)20-18(21)13(3)22-17-6-4-5-15(19)11-17/h4-13H,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyIWNNKIHWDQCOCU-CYBMUJFWSA-N
MW362.27 g/mol
LogP4.98
Rot. Bonds5

About (2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide

(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 1177364) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is (2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID1177364
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1
InChIInChI=1S/C18H20BrNO2/c1-12(2)14-7-9-16(10-8-14)20-18(21)13(3)22-17-6-4-5-15(19)11-17/h4-13H,1-3H3,(H,20,21)/t13-/m1/s1
InChIKeyIWNNKIHWDQCOCU-CYBMUJFWSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7818352
2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 2793539
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7964261
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 16794467
(2R)-2-(3-bromophenoxy)-N-(4-chloro-3-nitrophenyl)propanamide
CID 1177889
N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
CID 47119298
N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 53267481
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
(2R)-2-(3-bromophenoxy)-N-(2,6-diethylphenyl)propanamide
CID 1177372
N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide (CID 1177364) is (2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1.
What is the InChIKey of (2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is IWNNKIHWDQCOCU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-12(2)14-7-9-16(10-8-14)20-18(21)13(3)22-17-6-4-5-15(19)11-17/h4-13H,1-3H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide?
(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 362.27 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 1177364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).