3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide

C13H19ClN2O2 — CID 21331733

IUPAC3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
SMILESCCN(CC)CCNC(=O)c1cccc(Cl)c1O
InChIInChI=1S/C13H19ClN2O2/c1-3-16(4-2)9-8-15-13(18)10-6-5-7-11(14)12(10)17/h5-7,17H,3-4,8-9H2,1-2H3,(H,15,18)
InChIKeyMEFCCCUPFKLKRF-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.12
Rot. Bonds6

About 3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide

3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide (PubChem CID 21331733) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
PubChem CID21331733
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
SMILESCCN(CC)CCNC(=O)c1cccc(Cl)c1O
InChIInChI=1S/C13H19ClN2O2/c1-3-16(4-2)9-8-15-13(18)10-6-5-7-11(14)12(10)17/h5-7,17H,3-4,8-9H2,1-2H3,(H,15,18)
InChIKeyMEFCCCUPFKLKRF-UHFFFAOYSA-N
XLogP2.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261
2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 113331749
2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide
CID 163509812
N-[2-(diethylamino)ethyl]-2-nitrobenzamide
CID 15943
2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
CID 2308981
(Z)-3-[2-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-hydroxy-3-phenylprop-2-enoic acid
CID 20834316

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide (CID 21331733) is 3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide is CCN(CC)CCNC(=O)c1cccc(Cl)c1O.
What is the InChIKey of 3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide?
The InChIKey is MEFCCCUPFKLKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-16(4-2)9-8-15-13(18)10-6-5-7-11(14)12(10)17/h5-7,17H,3-4,8-9H2,1-2H3,(H,15,18).
What are the key properties of 3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide?
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide has a molecular weight of 270.76 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 21331733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).