N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide

C22H20ClNO3 — CID 2192184

IUPACN-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1
InChIInChI=1S/C22H20ClNO3/c1-2-26-21-13-17(22(25)24-19-10-6-9-18(23)14-19)11-12-20(21)27-15-16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H,24,25)
InChIKeyVGNIJXAPURFBQB-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.57
Rot. Bonds7

About N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide

N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide (PubChem CID 2192184) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
PubChem CID2192184
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC NameN-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1
InChIInChI=1S/C22H20ClNO3/c1-2-26-21-13-17(22(25)24-19-10-6-9-18(23)14-19)11-12-20(21)27-15-16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H,24,25)
InChIKeyVGNIJXAPURFBQB-UHFFFAOYSA-N
XLogP5.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(3-hydroxyphenyl)-4-phenylmethoxybenzamide
CID 126089788
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5002030
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049963
N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
CID 16778324
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126322826
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
3-ethoxy-N-(3-iodophenyl)-4-[(4-methylphenyl)methoxy]benzamide
CID 3328427
N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
CID 3558686
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide (CID 2192184) is N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide is CCOc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide?
The InChIKey is VGNIJXAPURFBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-2-26-21-13-17(22(25)24-19-10-6-9-18(23)14-19)11-12-20(21)27-15-16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H,24,25).
What are the key properties of N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide?
N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide has a molecular weight of 381.86 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 2192184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).