N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide

C16H16ClNO5 — CID 835945

IUPACN-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)ccc2O)cc(OC)c1OC
InChIInChI=1S/C16H16ClNO5/c1-21-13-6-9(7-14(22-2)15(13)23-3)16(20)18-11-8-10(17)4-5-12(11)19/h4-8,19H,1-3H3,(H,18,20)
InChIKeyWNRQCRHOMFPFMF-UHFFFAOYSA-N
MW337.76 g/mol
LogP3.32
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide

N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 835945) has the molecular formula C16H16ClNO5 and a molecular weight of 337.76 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide
PubChem CID835945
Molecular FormulaC16H16ClNO5
Molecular Weight337.76 g/mol
Exact Mass337.07
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)ccc2O)cc(OC)c1OC
InChIInChI=1S/C16H16ClNO5/c1-21-13-6-9(7-14(22-2)15(13)23-3)16(20)18-11-8-10(17)4-5-12(11)19/h4-8,19H,1-3H3,(H,18,20)
InChIKeyWNRQCRHOMFPFMF-UHFFFAOYSA-N
XLogP3.32
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 53.32
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-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide
CID 2980127
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-(5-chloro-2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 837991
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
N-(5-chloro-2-hydroxyphenyl)-4-cyclopentyloxy-3-methoxybenzamide
CID 56581323
4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 17470265
N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126005822
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 5172592
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide (CID 835945) is N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cc(Cl)ccc2O)cc(OC)c1OC.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is WNRQCRHOMFPFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5/c1-21-13-6-9(7-14(22-2)15(13)23-3)16(20)18-11-8-10(17)4-5-12(11)19/h4-8,19H,1-3H3,(H,18,20).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide?
N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 337.76 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 835945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).