3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide

C16H16ClNO2 — CID 18111876

IUPAC3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1C(C)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-10-5-3-4-6-13(10)11(2)18-16(20)12-7-8-15(19)14(17)9-12/h3-9,11,19H,1-2H3,(H,18,20)
InChIKeySKKRUJINYBKWGE-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.85
Rot. Bonds3

About 3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide

3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide (PubChem CID 18111876) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
PubChem CID18111876
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1C(C)NC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-10-5-3-4-6-13(10)11(2)18-16(20)12-7-8-15(19)14(17)9-12/h3-9,11,19H,1-2H3,(H,18,20)
InChIKeySKKRUJINYBKWGE-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 103955435
N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 60701286
3-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 60638374
5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62176085
4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 51175514
4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 81375390
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 47097730
N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 43297503
4-ethoxy-3-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 133209826
4-methyl-N-[1-(2-methylphenyl)ethyl]-3-nitrobenzamide
CID 112762357
4-acetamido-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 51456710

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide (CID 18111876) is 3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1C(C)NC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is SKKRUJINYBKWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10-5-3-4-6-13(10)11(2)18-16(20)12-7-8-15(19)14(17)9-12/h3-9,11,19H,1-2H3,(H,18,20).
What are the key properties of 3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide?
3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide has a molecular weight of 289.76 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 18111876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).