N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide

C22H20ClNO4 — CID 26620629

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(COc3ccccc3)cc2)c(OC)cc1Cl
InChIInChI=1S/C22H20ClNO4/c1-26-20-13-19(21(27-2)12-18(20)23)24-22(25)16-10-8-15(9-11-16)14-28-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyOUZQPWXRLWBIQO-UHFFFAOYSA-N
MW397.86 g/mol
LogP5.19
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide (PubChem CID 26620629) has the molecular formula C22H20ClNO4 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide
PubChem CID26620629
Molecular FormulaC22H20ClNO4
Molecular Weight397.86 g/mol
Exact Mass397.11
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(COc3ccccc3)cc2)c(OC)cc1Cl
InChIInChI=1S/C22H20ClNO4/c1-26-20-13-19(21(27-2)12-18(20)23)24-22(25)16-10-8-15(9-11-16)14-28-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyOUZQPWXRLWBIQO-UHFFFAOYSA-N
XLogP5.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.86
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
CID 2097134
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide
CID 6471423
4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide
CID 1223749
N-(4-chloro-2,5-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 26022355
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413
N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27006763
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide
CID 5140341
N-(2-methoxy-5-quinoxalin-6-ylphenyl)-4-phenylmethoxybenzamide
CID 168787249
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide (CID 26620629) is N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide is COc1cc(NC(=O)c2ccc(COc3ccccc3)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide?
The InChIKey is OUZQPWXRLWBIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO4/c1-26-20-13-19(21(27-2)12-18(20)23)24-22(25)16-10-8-15(9-11-16)14-28-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide has a molecular weight of 397.86 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 26620629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).