3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide

C14H19Cl2NO3 — CID 65112037

IUPAC3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
SMILESCCC(O)(CC)CNC(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO3/c1-4-14(19,5-2)8-17-13(18)9-6-10(15)12(20-3)11(16)7-9/h6-7,19H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyDMGMFPKVGCLEKE-UHFFFAOYSA-N
MW320.22 g/mol
LogP3.28
Rot. Bonds6

About 3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide

3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide (PubChem CID 65112037) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
PubChem CID65112037
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
SMILESCCC(O)(CC)CNC(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO3/c1-4-14(19,5-2)8-17-13(18)9-6-10(15)12(20-3)11(16)7-9/h6-7,19H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyDMGMFPKVGCLEKE-UHFFFAOYSA-N
XLogP3.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 134049590
N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 119642923
3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107318553
2-[(3,5-dichloro-4-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 43619029
2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 65218880
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
CID 65112007
N-(2-ethyl-2-hydroxybutyl)-6-methoxypyridine-3-carboxamide
CID 65112036
4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
CID 111483322
3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
CID 65315023
N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide
CID 114821770

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide (CID 65112037) is 3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide is CCC(O)(CC)CNC(=O)c1cc(Cl)c(OC)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide?
The InChIKey is DMGMFPKVGCLEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c1-4-14(19,5-2)8-17-13(18)9-6-10(15)12(20-3)11(16)7-9/h6-7,19H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide?
3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide has a molecular weight of 320.22 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide is sourced from PubChem (CID 65112037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).