4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide

C19H22BrNO2 — CID 9302251

IUPAC4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide
SMILESC[C@@H](CNC(=O)CCCOc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H22BrNO2/c1-15(16-6-3-2-4-7-16)14-21-19(22)8-5-13-23-18-11-9-17(20)10-12-18/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyPJFNEVPNMOTNLZ-HNNXBMFYSA-N
MW376.29 g/mol
LogP4.53
Rot. Bonds8

About 4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide

4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide (PubChem CID 9302251) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide
PubChem CID9302251
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide
SMILESC[C@@H](CNC(=O)CCCOc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H22BrNO2/c1-15(16-6-3-2-4-7-16)14-21-19(22)8-5-13-23-18-11-9-17(20)10-12-18/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyPJFNEVPNMOTNLZ-HNNXBMFYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenoxy)-N-[(2S)-2-hydroxypropyl]butanamide
CID 83030063
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
2-methyl-3-(4-phenoxybutanoylamino)propanoic acid
CID 62676928
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 24636628
N-[2-(methylamino)propyl]-4-phenoxybutanamide
CID 120827212
4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354
4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide
CID 103877004
N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide
CID 119528074
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate
CID 7667328
2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
CID 106107518

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide (CID 9302251) is 4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide is C[C@@H](CNC(=O)CCCOc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide?
The InChIKey is PJFNEVPNMOTNLZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-15(16-6-3-2-4-7-16)14-21-19(22)8-5-13-23-18-11-9-17(20)10-12-18/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide?
4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide has a molecular weight of 376.29 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide is sourced from PubChem (CID 9302251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).