N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

C22H19BrClNO3 — CID 3489384

IUPACN-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H19BrClNO3/c1-14-11-18(8-9-19(14)23)25-22(26)16-5-10-20(21(12-16)27-2)28-13-15-3-6-17(24)7-4-15/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyNWFMJYAZOXDOTM-UHFFFAOYSA-N
MW460.76 g/mol
LogP6.25
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide (PubChem CID 3489384) has the molecular formula C22H19BrClNO3 and a molecular weight of 460.76 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
PubChem CID3489384
Molecular FormulaC22H19BrClNO3
Molecular Weight460.76 g/mol
Exact Mass459.02
IUPAC NameN-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H19BrClNO3/c1-14-11-18(8-9-19(14)23)25-22(26)16-5-10-20(21(12-16)27-2)28-13-15-3-6-17(24)7-4-15/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyNWFMJYAZOXDOTM-UHFFFAOYSA-N
XLogP6.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.76
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
CID 18226846
4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide
CID 60599216
N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 26908303
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide
CID 55959946
N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
CID 126186357
N-(4-bromo-3-methylphenyl)-5-chloro-2-methoxybenzamide
CID 2198688
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 9079006
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide (CID 3489384) is N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The InChIKey is NWFMJYAZOXDOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrClNO3/c1-14-11-18(8-9-19(14)23)25-22(26)16-5-10-20(21(12-16)27-2)28-13-15-3-6-17(24)7-4-15/h3-12H,13H2,1-2H3,(H,25,26).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide has a molecular weight of 460.76 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 3489384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).