N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide

C22H20BrNO2 — CID 2969056

IUPACN-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C22H20BrNO2/c1-15-8-13-21(20(23)14-15)24-22(25)16(2)26-19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,24,25)
InChIKeyVWPDTNMNAVHFFN-UHFFFAOYSA-N
MW410.31 g/mol
LogP5.83
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide

N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide (PubChem CID 2969056) has the molecular formula C22H20BrNO2 and a molecular weight of 410.31 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide
PubChem CID2969056
Molecular FormulaC22H20BrNO2
Molecular Weight410.31 g/mol
Exact Mass409.07
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C22H20BrNO2/c1-15-8-13-21(20(23)14-15)24-22(25)16(2)26-19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,24,25)
InChIKeyVWPDTNMNAVHFFN-UHFFFAOYSA-N
XLogP5.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.31
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 53268008
N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide
CID 55424008
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
N-(4-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191556
(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084
2-(1,3-benzodioxol-5-yloxy)-N-(2-bromo-4-methylphenyl)propanamide
CID 45147847
N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide
CID 53268387
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4952015
5-methyl-2-(2-phenoxypropanoylamino)benzoic acid
CID 2925600
N-(2-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191511
(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
CID 2253744
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide (CID 2969056) is N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide is Cc1ccc(NC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide?
The InChIKey is VWPDTNMNAVHFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO2/c1-15-8-13-21(20(23)14-15)24-22(25)16(2)26-19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,24,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide?
N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide has a molecular weight of 410.31 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 2969056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).