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

C16H25ClN2O2 — CID 102993943

IUPAC5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide
SMILESCCN(CC)CCCN(CC)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H25ClN2O2/c1-4-18(5-2)10-7-11-19(6-3)16(21)14-12-13(17)8-9-15(14)20/h8-9,12,20H,4-7,10-11H2,1-3H3
InChIKeyXIIKNRPZKXEPMD-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.24
Rot. Bonds8

About 5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide

5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide (PubChem CID 102993943) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide
PubChem CID102993943
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide
SMILESCCN(CC)CCCN(CC)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H25ClN2O2/c1-4-18(5-2)10-7-11-19(6-3)16(21)14-12-13(17)8-9-15(14)20/h8-9,12,20H,4-7,10-11H2,1-3H3
InChIKeyXIIKNRPZKXEPMD-UHFFFAOYSA-N
XLogP3.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.24
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
N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide
CID 54988318
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide
CID 47298057
N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide
CID 102993947
N-[3-(diethylamino)propyl]-N-ethyl-2-fluoro-5-sulfanylbenzamide
CID 107036899
4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide
CID 102992707
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990923
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306
3-[(2-bromo-5-chlorobenzoyl)-ethylamino]propanoic acid
CID 75516401
N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 80661232
5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990935

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide (CID 102993943) is 5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide is CCN(CC)CCCN(CC)C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide?
The InChIKey is XIIKNRPZKXEPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-4-18(5-2)10-7-11-19(6-3)16(21)14-12-13(17)8-9-15(14)20/h8-9,12,20H,4-7,10-11H2,1-3H3.
What are the key properties of 5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide?
5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide has a molecular weight of 312.84 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide is sourced from PubChem (CID 102993943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).