(2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide

C19H22BrNO2 — CID 26218057

IUPAC(2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESC[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Br)cc1
InChIInChI=1S/C19H22BrNO2/c1-14(8-9-16-6-4-3-5-7-16)21-19(22)15(2)23-18-12-10-17(20)11-13-18/h3-7,10-15H,8-9H2,1-2H3,(H,21,22)/t14-,15-/m1/s1
InChIKeyNVMUCTCXMFGBIX-HUUCEWRRSA-N
MW376.29 g/mol
LogP4.35
Rot. Bonds7

About (2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide

(2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide (PubChem CID 26218057) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
PubChem CID26218057
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name(2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESC[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Br)cc1
InChIInChI=1S/C19H22BrNO2/c1-14(8-9-16-6-4-3-5-7-16)21-19(22)15(2)23-18-12-10-17(20)11-13-18/h3-7,10-15H,8-9H2,1-2H3,(H,21,22)/t14-,15-/m1/s1
InChIKeyNVMUCTCXMFGBIX-HUUCEWRRSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide
CID 31017501
methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate
CID 7542209
3-[2-(4-bromophenoxy)propanoylamino]butanoic acid
CID 43240759
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
CID 7930955
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
(2R)-2-(4-bromophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 100728263
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-propan-2-yloxybenzoate
CID 7210472
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-propan-2-yloxybenzoate
CID 7210474
2-[2-(4-bromophenoxy)propanoylamino]propanoic acid
CID 18837935
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-(difluoromethoxy)benzoate
CID 7290998

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide (CID 26218057) is (2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide is C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The InChIKey is NVMUCTCXMFGBIX-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-14(8-9-16-6-4-3-5-7-16)21-19(22)15(2)23-18-12-10-17(20)11-13-18/h3-7,10-15H,8-9H2,1-2H3,(H,21,22)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
(2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide has a molecular weight of 376.29 g/mol, XLogP of 4.35, 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-[(2R)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 26218057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).