2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide

C12H15ClN2O3 — CID 106501594

IUPAC2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-3-14-11(17)7-15(2)12(18)9-6-8(16)4-5-10(9)13/h4-6,16H,3,7H2,1-2H3,(H,14,17)
InChIKeyQAQFDASLQJGCGP-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.25
Rot. Bonds4

About 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide

2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide (PubChem CID 106501594) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
PubChem CID106501594
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-3-14-11(17)7-15(2)12(18)9-6-8(16)4-5-10(9)13/h4-6,16H,3,7H2,1-2H3,(H,14,17)
InChIKeyQAQFDASLQJGCGP-UHFFFAOYSA-N
XLogP1.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-5-sulfanylbenzamide
CID 107025947
2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 106502176
4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115647
2-chloro-5-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 106500873
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide
CID 106500987
N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide
CID 106499987
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
2-bromo-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-N-methylbenzamide
CID 61026430
2-chloro-5-hydroxy-N',N'-dimethylbenzohydrazide
CID 106502069
2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 107074540

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide?
The IUPAC name of 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide (CID 106501594) is 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide is CCNC(=O)CN(C)C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide?
The InChIKey is QAQFDASLQJGCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-3-14-11(17)7-15(2)12(18)9-6-8(16)4-5-10(9)13/h4-6,16H,3,7H2,1-2H3,(H,14,17).
What are the key properties of 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide?
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide has a molecular weight of 270.72 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide is sourced from PubChem (CID 106501594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).