3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide

C15H22ClNO2 — CID 103843375

IUPAC3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide
SMILESCCC(CC)(CO)CNC(=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-4-15(5-2,10-18)9-17-14(19)12-6-11(3)7-13(16)8-12/h6-8,18H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyAUYNWWVSVYFJEG-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.18
Rot. Bonds6

About 3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide

3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide (PubChem CID 103843375) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide
PubChem CID103843375
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide
SMILESCCC(CC)(CO)CNC(=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-4-15(5-2,10-18)9-17-14(19)12-6-11(3)7-13(16)8-12/h6-8,18H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyAUYNWWVSVYFJEG-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-methylbenzamide
CID 104629940
3-chloro-5-methyl-N-(2-oxopropyl)benzamide
CID 81323572
4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249424
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-iodobenzamide
CID 103843634
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide
CID 103843602
3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylbenzamide
CID 103773567
3-chloro-N-(2-chloropropyl)-5-methylbenzamide
CID 114296400
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
7-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzodioxole-5-carboxamide
CID 103843724
3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide
CID 113340834
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide
CID 114219727
5-[(3-chloro-5-methylbenzoyl)amino]-2-methylpentanoic acid
CID 113440696

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide?
The IUPAC name of 3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide (CID 103843375) is 3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide is CCC(CC)(CO)CNC(=O)c1cc(C)cc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide?
The InChIKey is AUYNWWVSVYFJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-15(5-2,10-18)9-17-14(19)12-6-11(3)7-13(16)8-12/h6-8,18H,4-5,9-10H2,1-3H3,(H,17,19).
What are the key properties of 3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide?
3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide has a molecular weight of 283.80 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide is sourced from PubChem (CID 103843375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).