4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide

C13H18ClNO2 — CID 39357973

IUPAC4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
SMILESCC(C)C[C@H](CO)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-9(2)7-12(8-16)15-13(17)10-3-5-11(14)6-4-10/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyATQDEJLVDXLNEW-GFCCVEGCSA-N
MW255.74 g/mol
LogP2.48
Rot. Bonds5

About 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide

4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide (PubChem CID 39357973) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
PubChem CID39357973
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
SMILESCC(C)C[C@H](CO)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-9(2)7-12(8-16)15-13(17)10-3-5-11(14)6-4-10/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyATQDEJLVDXLNEW-GFCCVEGCSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61245438
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 63213629
4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 81295056
N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide
CID 61245639
4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246765
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246638
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
4-chloro-N-propan-2-ylbenzamide
CID 24045
6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 63977631

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide (CID 39357973) is 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide is CC(C)C[C@H](CO)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide?
The InChIKey is ATQDEJLVDXLNEW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(2)7-12(8-16)15-13(17)10-3-5-11(14)6-4-10/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide?
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide has a molecular weight of 255.74 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide is sourced from PubChem (CID 39357973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).