4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide

C14H20ClNO3 — CID 166959386

IUPAC4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide
SMILESCC(C)(C)OCC(O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3/c1-14(2,3)19-9-12(17)8-16-13(18)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyPMKOMYLOXOYLEW-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.25
Rot. Bonds5

About 4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide

4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide (PubChem CID 166959386) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide
PubChem CID166959386
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide
SMILESCC(C)(C)OCC(O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3/c1-14(2,3)19-9-12(17)8-16-13(18)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyPMKOMYLOXOYLEW-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
CID 7324383
4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide
CID 84567072
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81353301
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate
CID 145027142
(3-acetamido-2-hydroxypropyl) 4-chlorobenzoate
CID 139815315
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
N-(2-tert-butylpentyl)-4-chlorobenzamide
CID 123715047
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770168
N-(2-hydroxy-3-methoxypropyl)-4-sulfanylbenzamide
CID 107030584
tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 20814870

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide?
The IUPAC name of 4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide (CID 166959386) is 4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide is CC(C)(C)OCC(O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide?
The InChIKey is PMKOMYLOXOYLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-14(2,3)19-9-12(17)8-16-13(18)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide?
4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide has a molecular weight of 285.77 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide is sourced from PubChem (CID 166959386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).