3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide

C13H17Cl2NO2 — CID 61246469

IUPAC3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(CO)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-8(2)5-10(7-17)16-13(18)9-3-4-11(14)12(15)6-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,16,18)
InChIKeyMKKRXSZUQLHNIF-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.13
Rot. Bonds5

About 3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide

3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide (PubChem CID 61246469) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
PubChem CID61246469
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(CO)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-8(2)5-10(7-17)16-13(18)9-3-4-11(14)12(15)6-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,16,18)
InChIKeyMKKRXSZUQLHNIF-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 81295056
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
3,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61245438
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide
CID 114311603
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 63213629
3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide (CID 61246469) is 3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide is CC(C)CC(CO)NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The InChIKey is MKKRXSZUQLHNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-8(2)5-10(7-17)16-13(18)9-3-4-11(14)12(15)6-9/h3-4,6,8,10,17H,5,7H2,1-2H3,(H,16,18).
What are the key properties of 3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide has a molecular weight of 290.19 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 61246469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).