N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide

C28H24N2O3 — CID 3539312

IUPACN-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
SMILESCc1cccc(NC(=O)c2ccc(Oc3ccc(C(=O)Nc4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C28H24N2O3/c1-19-5-3-7-23(17-19)29-27(31)21-9-13-25(14-10-21)33-26-15-11-22(12-16-26)28(32)30-24-8-4-6-20(2)18-24/h3-18H,1-2H3,(H,29,31)(H,30,32)
InChIKeyQQOLSKDRKYEHJI-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.60
Rot. Bonds6

About N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide

N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide (PubChem CID 3539312) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
PubChem CID3539312
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC NameN-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
SMILESCc1cccc(NC(=O)c2ccc(Oc3ccc(C(=O)Nc4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C28H24N2O3/c1-19-5-3-7-23(17-19)29-27(31)21-9-13-25(14-10-21)33-26-15-11-22(12-16-26)28(32)30-24-8-4-6-20(2)18-24/h3-18H,1-2H3,(H,29,31)(H,30,32)
InChIKeyQQOLSKDRKYEHJI-UHFFFAOYSA-N
XLogP6.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16650952
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
N-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651159
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
4-(ethylsulfonylamino)-N-(3-methylphenyl)benzamide
CID 2996698
O-[4-[(3-methylphenyl)carbamoyl]phenyl] N,N-di(propan-2-yl)carbamothioate
CID 4155570

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide?
The IUPAC name of N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide (CID 3539312) is N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide?
The canonical SMILES for N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide is Cc1cccc(NC(=O)c2ccc(Oc3ccc(C(=O)Nc4cccc(C)c4)cc3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide?
The InChIKey is QQOLSKDRKYEHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-19-5-3-7-23(17-19)29-27(31)21-9-13-25(14-10-21)33-26-15-11-22(12-16-26)28(32)30-24-8-4-6-20(2)18-24/h3-18H,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide?
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide has a molecular weight of 436.51 g/mol, XLogP of 6.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 3539312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).