4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide

C22H20ClNO4 — CID 4614010

IUPAC4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1
InChIInChI=1S/C22H20ClNO4/c1-26-19-5-3-4-18(13-19)24-22(25)16-8-11-20(21(12-16)27-2)28-14-15-6-9-17(23)10-7-15/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyPUJHNCPSFPVMJH-UHFFFAOYSA-N
MW397.86 g/mol
LogP5.19
Rot. Bonds7

About 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide

4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide (PubChem CID 4614010) has the molecular formula C22H20ClNO4 and a molecular weight of 397.86 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
PubChem CID4614010
Molecular FormulaC22H20ClNO4
Molecular Weight397.86 g/mol
Exact Mass397.11
IUPAC Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1
InChIInChI=1S/C22H20ClNO4/c1-26-19-5-3-4-18(13-19)24-22(25)16-8-11-20(21(12-16)27-2)28-14-15-6-9-17(23)10-7-15/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyPUJHNCPSFPVMJH-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-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
4-[(4-chlorophenyl)methoxy]-3-methoxy-N'-phenylbenzohydrazide
CID 78774841
N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3489384
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide
CID 27167629
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide
CID 60599216
N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 26908303
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736
4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide
CID 55959946
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 4227842
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide (CID 4614010) is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide?
The InChIKey is PUJHNCPSFPVMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO4/c1-26-19-5-3-4-18(13-19)24-22(25)16-8-11-20(21(12-16)27-2)28-14-15-6-9-17(23)10-7-15/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide?
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)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 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 4614010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).