N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide

C22H21NO2 — CID 16650988

IUPACN-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide
SMILESCc1cccc(Oc2ccc(C(=O)Nc3cccc(C)c3C)cc2)c1
InChIInChI=1S/C22H21NO2/c1-15-6-4-8-20(14-15)25-19-12-10-18(11-13-19)22(24)23-21-9-5-7-16(2)17(21)3/h4-14H,1-3H3,(H,23,24)
InChIKeyRDFKRCBUWBKELB-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.66
Rot. Bonds4

About N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide

N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide (PubChem CID 16650988) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide
PubChem CID16650988
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide
SMILESCc1cccc(Oc2ccc(C(=O)Nc3cccc(C)c3C)cc2)c1
InChIInChI=1S/C22H21NO2/c1-15-6-4-8-20(14-15)25-19-12-10-18(11-13-19)22(24)23-21-9-5-7-16(2)17(21)3/h4-14H,1-3H3,(H,23,24)
InChIKeyRDFKRCBUWBKELB-UHFFFAOYSA-N
XLogP5.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide
CID 7709509
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 55678662
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20985309
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide (CID 16650988) is N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide is Cc1cccc(Oc2ccc(C(=O)Nc3cccc(C)c3C)cc2)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide?
The InChIKey is RDFKRCBUWBKELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-15-6-4-8-20(14-15)25-19-12-10-18(11-13-19)22(24)23-21-9-5-7-16(2)17(21)3/h4-14H,1-3H3,(H,23,24).
What are the key properties of N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide?
N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide has a molecular weight of 331.42 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide is sourced from PubChem (CID 16650988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).