N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide

C16H17NO5 — CID 7311914

IUPACN-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccccc2O)cc1OC
InChIInChI=1S/C16H17NO5/c1-20-13-9-15(22-3)14(21-2)8-10(13)16(19)17-11-6-4-5-7-12(11)18/h4-9,18H,1-3H3,(H,17,19)
InChIKeyPNKFSQRLAFAQOO-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.67
Rot. Bonds5

About N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide

N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide (PubChem CID 7311914) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
PubChem CID7311914
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC NameN-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccccc2O)cc1OC
InChIInChI=1S/C16H17NO5/c1-20-13-9-15(22-3)14(21-2)8-10(13)16(19)17-11-6-4-5-7-12(11)18/h4-9,18H,1-3H3,(H,17,19)
InChIKeyPNKFSQRLAFAQOO-UHFFFAOYSA-N
XLogP2.67
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
CID 912702
N-(5-chloro-2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 837991
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide
CID 2596685
4-(difluoromethoxy)-N-(2-hydroxyphenyl)-5-methoxy-2-nitrobenzamide
CID 17397142
2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
CID 14127147
N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
CID 1020033
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide
CID 26881977
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-(2,6-diethylphenyl)-2,4,5-trimethoxybenzamide
CID 26880577

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide (CID 7311914) is N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2ccccc2O)cc1OC.
What is the InChIKey of N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide?
The InChIKey is PNKFSQRLAFAQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-20-13-9-15(22-3)14(21-2)8-10(13)16(19)17-11-6-4-5-7-12(11)18/h4-9,18H,1-3H3,(H,17,19).
What are the key properties of N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide?
N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide has a molecular weight of 303.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 7311914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).