4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide

C21H18BrNO2 — CID 4686155

IUPAC4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide
SMILESCc1cccc(C)c1Oc1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H18BrNO2/c1-14-4-3-5-15(2)20(14)25-19-12-10-18(11-13-19)23-21(24)16-6-8-17(22)9-7-16/h3-13H,1-2H3,(H,23,24)
InChIKeyCYDDMWPNSRTDLO-UHFFFAOYSA-N
MW396.28 g/mol
LogP6.11
Rot. Bonds4

About 4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide

4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide (PubChem CID 4686155) has the molecular formula C21H18BrNO2 and a molecular weight of 396.28 g/mol. Its IUPAC name is 4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide
PubChem CID4686155
Molecular FormulaC21H18BrNO2
Molecular Weight396.28 g/mol
Exact Mass395.05
IUPAC Name4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide
SMILESCc1cccc(C)c1Oc1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H18BrNO2/c1-14-4-3-5-15(2)20(14)25-19-12-10-18(11-13-19)23-21(24)16-6-8-17(22)9-7-16/h3-13H,1-2H3,(H,23,24)
InChIKeyCYDDMWPNSRTDLO-UHFFFAOYSA-N
XLogP6.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
4-[4-[(4-bromobenzoyl)amino]phenoxy]phthalic acid
CID 1249686
4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide
CID 1179525
4-bromo-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122310307
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide (CID 4686155) is 4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide is Cc1cccc(C)c1Oc1ccc(NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide?
The InChIKey is CYDDMWPNSRTDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO2/c1-14-4-3-5-15(2)20(14)25-19-12-10-18(11-13-19)23-21(24)16-6-8-17(22)9-7-16/h3-13H,1-2H3,(H,23,24).
What are the key properties of 4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide?
4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide has a molecular weight of 396.28 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(2,6-dimethylphenoxy)phenyl]benzamide is sourced from PubChem (CID 4686155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).