3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide

C14H20ClNO2 — CID 107097824

IUPAC3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C14H20ClNO2/c1-5-16(9-14(3,4)18)13(17)11-7-6-8-12(15)10(11)2/h6-8,18H,5,9H2,1-4H3
InChIKeyAAYRUZYTUDGGBN-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.88
Rot. Bonds4

About 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide

3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide (PubChem CID 107097824) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
PubChem CID107097824
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C14H20ClNO2/c1-5-16(9-14(3,4)18)13(17)11-7-6-8-12(15)10(11)2/h6-8,18H,5,9H2,1-4H3
InChIKeyAAYRUZYTUDGGBN-UHFFFAOYSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 82829511
2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381925
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide
CID 107099465
N-(2-bromoethyl)-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492398
N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79377923
2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide
CID 79381069
3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide
CID 79381969
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
N-(1-bromo-2-methylpropan-2-yl)-3-chloro-N,2-dimethylbenzamide
CID 107100236
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
5-chloro-N,N-diethylnaphthalene-1-carboxamide
CID 50850160

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide?
The IUPAC name of 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide (CID 107097824) is 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide is CCN(CC(C)(C)O)C(=O)c1cccc(Cl)c1C.
What is the InChIKey of 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide?
The InChIKey is AAYRUZYTUDGGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-5-16(9-14(3,4)18)13(17)11-7-6-8-12(15)10(11)2/h6-8,18H,5,9H2,1-4H3.
What are the key properties of 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide?
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide is sourced from PubChem (CID 107097824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).