N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide

C22H20ClNO2 — CID 4008136

IUPACN-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1
InChIInChI=1S/C22H20ClNO2/c1-15-3-11-20(12-4-15)26-14-17-6-8-18(9-7-17)22(25)24-21-13-19(23)10-5-16(21)2/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyHFTBTTIIHIWREM-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.79
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide

N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide (PubChem CID 4008136) has the molecular formula C22H20ClNO2 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide
PubChem CID4008136
Molecular FormulaC22H20ClNO2
Molecular Weight365.86 g/mol
Exact Mass365.12
IUPAC NameN-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1
InChIInChI=1S/C22H20ClNO2/c1-15-3-11-20(12-4-15)26-14-17-6-8-18(9-7-17)22(25)24-21-13-19(23)10-5-16(21)2/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyHFTBTTIIHIWREM-UHFFFAOYSA-N
XLogP5.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide
CID 17112665
4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961623
N-[5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 55544586
N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide
CID 2107466
N-(5-chloro-2-methylphenyl)-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19415875
N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide
CID 1229718
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3304613
N-(4-chloro-2-methylphenyl)-4-[(2-chlorophenyl)methoxy]benzamide
CID 8813256
N-(5-chloro-2-methylphenyl)-4-(ethylamino)benzamide
CID 62185728

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide (CID 4008136) is N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide is Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide?
The InChIKey is HFTBTTIIHIWREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO2/c1-15-3-11-20(12-4-15)26-14-17-6-8-18(9-7-17)22(25)24-21-13-19(23)10-5-16(21)2/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide?
N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide has a molecular weight of 365.86 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide is sourced from PubChem (CID 4008136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).