N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide

C22H20ClNO2 — CID 3562657

IUPACN-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide
SMILESCc1cccc(OCc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)c1
InChIInChI=1S/C22H20ClNO2/c1-15-5-3-6-19(13-15)26-14-17-9-11-18(12-10-17)22(25)24-21-8-4-7-20(23)16(21)2/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyZBTFNXDJPYLIRA-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.79
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide

N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide (PubChem CID 3562657) has the molecular formula C22H20ClNO2 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide
PubChem CID3562657
Molecular FormulaC22H20ClNO2
Molecular Weight365.86 g/mol
Exact Mass365.12
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide
SMILESCc1cccc(OCc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)c1
InChIInChI=1S/C22H20ClNO2/c1-15-5-3-6-19(13-15)26-14-17-9-11-18(12-10-17)22(25)24-21-8-4-7-20(23)16(21)2/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyZBTFNXDJPYLIRA-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

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CID 2671399
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5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 20993932
N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19446073
N-[(3-chloro-2-methylphenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 22775730
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
CID 886785
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570
4-[(3-methylphenoxy)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 126187920
3-chloro-2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126127986
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide (CID 3562657) is N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide is Cc1cccc(OCc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide?
The InChIKey is ZBTFNXDJPYLIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO2/c1-15-5-3-6-19(13-15)26-14-17-9-11-18(12-10-17)22(25)24-21-8-4-7-20(23)16(21)2/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide?
N-(3-chloro-2-methylphenyl)-4-[(3-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-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide is sourced from PubChem (CID 3562657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).