3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide

C21H18BrNO3 — CID 7603354

IUPAC3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1Br
InChIInChI=1S/C21H18BrNO3/c1-14-4-3-5-18(12-14)26-17-9-7-16(8-10-17)23-21(24)15-6-11-20(25-2)19(22)13-15/h3-13H,1-2H3,(H,23,24)
InChIKeyBFUNNLPZHSOTFC-UHFFFAOYSA-N
MW412.28 g/mol
LogP5.81
Rot. Bonds5

About 3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide

3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide (PubChem CID 7603354) has the molecular formula C21H18BrNO3 and a molecular weight of 412.28 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide
PubChem CID7603354
Molecular FormulaC21H18BrNO3
Molecular Weight412.28 g/mol
Exact Mass411.05
IUPAC Name3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1Br
InChIInChI=1S/C21H18BrNO3/c1-14-4-3-5-18(12-14)26-17-9-7-16(8-10-17)23-21(24)15-6-11-20(25-2)19(22)13-15/h3-13H,1-2H3,(H,23,24)
InChIKeyBFUNNLPZHSOTFC-UHFFFAOYSA-N
XLogP5.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide
CID 9453672
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-3-methylbenzamide
CID 3556307
2-(2,5-dimethoxyphenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 7581668
N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 7925023
4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 55678662
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide (CID 7603354) is 3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide?
The InChIKey is BFUNNLPZHSOTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO3/c1-14-4-3-5-18(12-14)26-17-9-7-16(8-10-17)23-21(24)15-6-11-20(25-2)19(22)13-15/h3-13H,1-2H3,(H,23,24).
What are the key properties of 3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide?
3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide has a molecular weight of 412.28 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide is sourced from PubChem (CID 7603354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).