2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide

C17H18ClNO2 — CID 137343462

IUPAC2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide
SMILESCc1cc(O)c(Cl)cc1-c1ccccc1C(=O)NC(C)C
InChIInChI=1S/C17H18ClNO2/c1-10(2)19-17(21)13-7-5-4-6-12(13)14-9-15(18)16(20)8-11(14)3/h4-10,20H,1-3H3,(H,19,21)
InChIKeyCJODDYOVVJRERV-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.16
Rot. Bonds3

About 2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide

2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide (PubChem CID 137343462) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide
PubChem CID137343462
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide
SMILESCc1cc(O)c(Cl)cc1-c1ccccc1C(=O)NC(C)C
InChIInChI=1S/C17H18ClNO2/c1-10(2)19-17(21)13-7-5-4-6-12(13)14-9-15(18)16(20)8-11(14)3/h4-10,20H,1-3H3,(H,19,21)
InChIKeyCJODDYOVVJRERV-UHFFFAOYSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
2-(3,5-dimethoxyphenyl)-N-propan-2-ylbenzamide
CID 72846372
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 665429
N,2-di(propan-2-yl)benzamide
CID 14972595
3-chloro-1-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 142678332
5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
CID 110762952
2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 74645893
N-(3-chlorophenyl)-5-ethynyl-2-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 141358191
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945322
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 27647987
2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 153307876

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide (CID 137343462) is 2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide is Cc1cc(O)c(Cl)cc1-c1ccccc1C(=O)NC(C)C.
What is the InChIKey of 2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide?
The InChIKey is CJODDYOVVJRERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-10(2)19-17(21)13-7-5-4-6-12(13)14-9-15(18)16(20)8-11(14)3/h4-10,20H,1-3H3,(H,19,21).
What are the key properties of 2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide?
2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-hydroxy-2-methylphenyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 137343462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).