2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide

C21H19NO4 — CID 912370

IUPAC2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1OC
InChIInChI=1S/C21H19NO4/c1-24-19-10-6-9-18(20(19)25-2)21(23)22-15-11-13-17(14-12-15)26-16-7-4-3-5-8-16/h3-14H,1-2H3,(H,22,23)
InChIKeyCOFPONPKJPJFFM-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.75
Rot. Bonds6

About 2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide

2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide (PubChem CID 912370) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
PubChem CID912370
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1OC
InChIInChI=1S/C21H19NO4/c1-24-19-10-6-9-18(20(19)25-2)21(23)22-15-11-13-17(14-12-15)26-16-7-4-3-5-8-16/h3-14H,1-2H3,(H,22,23)
InChIKeyCOFPONPKJPJFFM-UHFFFAOYSA-N
XLogP4.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253872
2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474623
N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide
CID 24636994
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
1-methyl-N-(4-phenoxyphenyl)indole-4-carboxamide
CID 112523940
N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide
CID 7533072
2-phenoxy-N-phenylbenzamide
CID 3402306
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide (CID 912370) is 2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide is COc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide?
The InChIKey is COFPONPKJPJFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-24-19-10-6-9-18(20(19)25-2)21(23)22-15-11-13-17(14-12-15)26-16-7-4-3-5-8-16/h3-14H,1-2H3,(H,22,23).
What are the key properties of 2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide?
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 912370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).