N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide

C16H16ClNO3 — CID 103528255

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C16H16ClNO3/c1-10-8-11(6-7-14(10)19)16(20)18-9-12-13(17)4-3-5-15(12)21-2/h3-8,19H,9H2,1-2H3,(H,18,20)
InChIKeyQJTQCESMHXHCTL-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.29
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide

N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide (PubChem CID 103528255) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide
PubChem CID103528255
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C16H16ClNO3/c1-10-8-11(6-7-14(10)19)16(20)18-9-12-13(17)4-3-5-15(12)21-2/h3-8,19H,9H2,1-2H3,(H,18,20)
InChIKeyQJTQCESMHXHCTL-UHFFFAOYSA-N
XLogP3.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide
CID 103292680
N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
CID 107037038
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 103292717
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 103293349
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide
CID 107953670
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106
5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
CID 107700839
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide (CID 103528255) is N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide is COc1cccc(Cl)c1CNC(=O)c1ccc(O)c(C)c1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide?
The InChIKey is QJTQCESMHXHCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-8-11(6-7-14(10)19)16(20)18-9-12-13(17)4-3-5-15(12)21-2/h3-8,19H,9H2,1-2H3,(H,18,20).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide?
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide has a molecular weight of 305.76 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 103528255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).