N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide

C19H22BrNO2 — CID 53268387

IUPACN-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C19H22BrNO2/c1-13(23-15-8-6-5-7-9-15)18(22)21-17-11-10-14(12-16(17)20)19(2,3)4/h5-13H,1-4H3,(H,21,22)
InChIKeySNIKIWZYDLEWDR-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.15
Rot. Bonds4

About N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide

N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide (PubChem CID 53268387) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide
PubChem CID53268387
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC NameN-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C19H22BrNO2/c1-13(23-15-8-6-5-7-9-15)18(22)21-17-11-10-14(12-16(17)20)19(2,3)4/h5-13H,1-4H3,(H,21,22)
InChIKeySNIKIWZYDLEWDR-UHFFFAOYSA-N
XLogP5.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide
CID 53268285
N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 2969056
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940151
(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 7036907
N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 53268008
(2R)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide
CID 92673477
(2S)-N-(2-bromophenyl)-2-(3-methoxyphenoxy)propanamide
CID 92673476
2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide
CID 5189907
(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
CID 2253744
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 3259116
N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 132661546
2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
CID 2216687

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide?
The IUPAC name of N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide (CID 53268387) is N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide.
What is the SMILES notation for N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide?
The canonical SMILES for N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1Br.
What is the InChIKey of N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide?
The InChIKey is SNIKIWZYDLEWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-13(23-15-8-6-5-7-9-15)18(22)21-17-11-10-14(12-16(17)20)19(2,3)4/h5-13H,1-4H3,(H,21,22).
What are the key properties of N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide?
N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide has a molecular weight of 376.29 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide is sourced from PubChem (CID 53268387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).