N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide

C22H20ClNO4 — CID 9243640

IUPACN-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C22H20ClNO4/c1-26-19-12-16(22(25)24-18-10-8-17(23)9-11-18)13-20(27-2)21(19)28-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyURSRMPFKQMTUTK-UHFFFAOYSA-N
MW397.86 g/mol
LogP5.19
Rot. Bonds7

About N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide

N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 9243640) has the molecular formula C22H20ClNO4 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID9243640
Molecular FormulaC22H20ClNO4
Molecular Weight397.86 g/mol
Exact Mass397.11
IUPAC NameN-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C22H20ClNO4/c1-26-19-12-16(22(25)24-18-10-8-17(23)9-11-18)13-20(27-2)21(19)28-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyURSRMPFKQMTUTK-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

3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-(2-fluoro-5-methylphenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9455251
3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121031
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27446104
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 9243640) is N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is URSRMPFKQMTUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO4/c1-26-19-12-16(22(25)24-18-10-8-17(23)9-11-18)13-20(27-2)21(19)28-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide 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-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 9243640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).