5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide

C13H17ClN2O3 — CID 47298057

IUPAC5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H17ClN2O3/c1-4-16(8-12(18)15(2)3)13(19)10-7-9(14)5-6-11(10)17/h5-7,17H,4,8H2,1-3H3
InChIKeySUZXRYNZAHIXGK-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.60
Rot. Bonds4

About 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide

5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide (PubChem CID 47298057) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide
PubChem CID47298057
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H17ClN2O3/c1-4-16(8-12(18)15(2)3)13(19)10-7-9(14)5-6-11(10)17/h5-7,17H,4,8H2,1-3H3
InChIKeySUZXRYNZAHIXGK-UHFFFAOYSA-N
XLogP1.60
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63394967
5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide
CID 102993943
N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide
CID 54988318
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide
CID 56812632
2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid
CID 54901352
2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 61106038
1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one
CID 12572233
2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 103611936
5-chloro-N-(4-fluorophenyl)-2-hydroxy-N-methylbenzamide
CID 61063244
2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid
CID 107729311
ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate
CID 9115326

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide (CID 47298057) is 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide is CCN(CC(=O)N(C)C)C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide?
The InChIKey is SUZXRYNZAHIXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-4-16(8-12(18)15(2)3)13(19)10-7-9(14)5-6-11(10)17/h5-7,17H,4,8H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide?
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide has a molecular weight of 284.74 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide is sourced from PubChem (CID 47298057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).