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

C22H21NO2 — CID 7946940

IUPACN-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(COc3ccccc3)cc2)c1C
InChIInChI=1S/C22H21NO2/c1-16-7-6-10-21(17(16)2)23-22(24)19-13-11-18(12-14-19)15-25-20-8-4-3-5-9-20/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyQAKRSNPOPOYRFC-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.13
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide (PubChem CID 7946940) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
PubChem CID7946940
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(COc3ccccc3)cc2)c1C
InChIInChI=1S/C22H21NO2/c1-16-7-6-10-21(17(16)2)23-22(24)19-13-11-18(12-14-19)15-25-20-8-4-3-5-9-20/h3-14H,15H2,1-2H3,(H,23,24)
InChIKeyQAKRSNPOPOYRFC-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 46434092
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413
N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide
CID 9395656
N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 53284080
N-(2,3-dimethylphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 7946928
3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20985309
N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide
CID 3562657
5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19450723
3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide
CID 5015418
N-(2,6-dimethylphenyl)-4-[(4-ethylphenoxy)methyl]benzamide
CID 1226229
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylmethoxybenzamide
CID 38300494

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide (CID 7946940) is N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide is Cc1cccc(NC(=O)c2ccc(COc3ccccc3)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide?
The InChIKey is QAKRSNPOPOYRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-16-7-6-10-21(17(16)2)23-22(24)19-13-11-18(12-14-19)15-25-20-8-4-3-5-9-20/h3-14H,15H2,1-2H3,(H,23,24).
What are the key properties of N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide?
N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide has a molecular weight of 331.42 g/mol, XLogP of 5.13, 5 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-(phenoxymethyl)benzamide is sourced from PubChem (CID 7946940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).