3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide

C16H16ClNO3 — CID 29273643

IUPAC3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccc(O)c(Cl)c1)c1cc(O)ccc1C
InChIInChI=1S/C16H16ClNO3/c1-3-18(14-9-12(19)6-4-10(14)2)16(21)11-5-7-15(20)13(17)8-11/h4-9,19-20H,3H2,1-2H3
InChIKeyUYASMPTVCNRIHB-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.73
Rot. Bonds3

About 3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide

3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide (PubChem CID 29273643) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide
PubChem CID29273643
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccc(O)c(Cl)c1)c1cc(O)ccc1C
InChIInChI=1S/C16H16ClNO3/c1-3-18(14-9-12(19)6-4-10(14)2)16(21)11-5-7-15(20)13(17)8-11/h4-9,19-20H,3H2,1-2H3
InChIKeyUYASMPTVCNRIHB-UHFFFAOYSA-N
XLogP3.73
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide
CID 28978793
6-chloro-N-ethyl-N-(5-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 107856541
4-(aminomethyl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107733330
N-ethyl-N-(5-hydroxy-2-methylphenyl)pyrimidine-5-carboxamide
CID 102922038
5-chloro-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28516961
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 107733112
2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28739954
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylfuran-3-carboxamide
CID 28740049
N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 28780674
3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
CID 43266072
2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 107737112
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide?
The IUPAC name of 3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide (CID 29273643) is 3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide?
The canonical SMILES for 3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide is CCN(C(=O)c1ccc(O)c(Cl)c1)c1cc(O)ccc1C.
What is the InChIKey of 3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide?
The InChIKey is UYASMPTVCNRIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-3-18(14-9-12(19)6-4-10(14)2)16(21)11-5-7-15(20)13(17)8-11/h4-9,19-20H,3H2,1-2H3.
What are the key properties of 3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide?
3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide has a molecular weight of 305.76 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide is sourced from PubChem (CID 29273643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).