2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide

C22H21NO2 — CID 100710300

IUPAC2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2ccccc2Oc2ccccc2)cc1C
InChIInChI=1S/C22H21NO2/c1-15-13-17(3)19(14-16(15)2)22(24)23-20-11-7-8-12-21(20)25-18-9-5-4-6-10-18/h4-14H,1-3H3,(H,23,24)
InChIKeyMGALVRZFVWTXST-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.66
Rot. Bonds4

About 2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide

2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide (PubChem CID 100710300) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide
PubChem CID100710300
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2ccccc2Oc2ccccc2)cc1C
InChIInChI=1S/C22H21NO2/c1-15-13-17(3)19(14-16(15)2)22(24)23-20-11-7-8-12-21(20)25-18-9-5-4-6-10-18/h4-14H,1-3H3,(H,23,24)
InChIKeyMGALVRZFVWTXST-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

2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438
4-[(2-phenoxyphenyl)carbamoyl]benzene-1,3-dicarboxylate
CID 7232593
5-methyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110682649
3-methyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110863663
2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 24682124
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide
CID 3405198
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide
CID 55386883
5-bromo-2-hydroxy-N-(2-phenoxyphenyl)benzamide
CID 20604832
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide
CID 158102212

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide (CID 100710300) is 2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide is Cc1cc(C)c(C(=O)Nc2ccccc2Oc2ccccc2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide?
The InChIKey is MGALVRZFVWTXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-15-13-17(3)19(14-16(15)2)22(24)23-20-11-7-8-12-21(20)25-18-9-5-4-6-10-18/h4-14H,1-3H3,(H,23,24).
What are the key properties of 2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide?
2,4,5-trimethyl-N-(2-phenoxyphenyl)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 2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 100710300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).