3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide

C12H17ClN2O2 — CID 62634789

IUPAC3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
SMILESCCN(C)CCNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-3-15(2)7-6-14-12(17)9-4-5-11(16)10(13)8-9/h4-5,8,16H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyAYEMBGIPMMYZLT-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.73
Rot. Bonds5

About 3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide

3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide (PubChem CID 62634789) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
PubChem CID62634789
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
SMILESCCN(C)CCNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-3-15(2)7-6-14-12(17)9-4-5-11(16)10(13)8-9/h4-5,8,16H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyAYEMBGIPMMYZLT-UHFFFAOYSA-N
XLogP1.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 55097987
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide
CID 107075159
4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 81295607
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634790
3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
CID 114293588
N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide
CID 106845855
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide
CID 106846289
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide
CID 62666300
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634614

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide (CID 62634789) is 3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide is CCN(C)CCNC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide?
The InChIKey is AYEMBGIPMMYZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-15(2)7-6-14-12(17)9-4-5-11(16)10(13)8-9/h4-5,8,16H,3,6-7H2,1-2H3,(H,14,17).
What are the key properties of 3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide?
3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide has a molecular weight of 256.73 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide is sourced from PubChem (CID 62634789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).