N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide

C22H17ClN2O3 — CID 52738693

IUPACN-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1Cl
InChIInChI=1S/C22H17ClN2O3/c1-27-21-10-9-18(12-20(21)23)25-22(26)15-7-4-8-19(11-15)28-14-17-6-3-2-5-16(17)13-24/h2-12H,14H2,1H3,(H,25,26)
InChIKeyZTKOFGATIXWPHB-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.05
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide

N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide (PubChem CID 52738693) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide
PubChem CID52738693
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1Cl
InChIInChI=1S/C22H17ClN2O3/c1-27-21-10-9-18(12-20(21)23)25-22(26)15-7-4-8-19(11-15)28-14-17-6-3-2-5-16(17)13-24/h2-12H,14H2,1H3,(H,25,26)
InChIKeyZTKOFGATIXWPHB-UHFFFAOYSA-N
XLogP5.05
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyanophenyl)methoxy]-N-(4-methylphenyl)benzamide
CID 52738677
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
N-(2-chlorophenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738882
3-[(2-cyanophenyl)methoxy]-N-(4-methylsulfanylphenyl)benzamide
CID 60572425
N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide
CID 17134395
N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
CID 17428367
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
3-[(2-cyanophenyl)methoxy]-N-prop-2-ynylbenzamide
CID 47070755
methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate
CID 100749996
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
2-[(3-chloro-4-methoxyanilino)methyl]benzonitrile
CID 28570636
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide (CID 52738693) is N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide is COc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide?
The InChIKey is ZTKOFGATIXWPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-27-21-10-9-18(12-20(21)23)25-22(26)15-7-4-8-19(11-15)28-14-17-6-3-2-5-16(17)13-24/h2-12H,14H2,1H3,(H,25,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide?
N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide has a molecular weight of 392.84 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[(2-cyanophenyl)methoxy]benzamide is sourced from PubChem (CID 52738693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).