3-chloro-N,N-diethyl-2-hydroxybenzamide

C11H14ClNO2 — CID 68591956

IUPAC3-chloro-N,N-diethyl-2-hydroxybenzamide
SMILESCCN(CC)C(=O)c1cccc(Cl)c1O
InChIInChI=1S/C11H14ClNO2/c1-3-13(4-2)11(15)8-6-5-7-9(12)10(8)14/h5-7,14H,3-4H2,1-2H3
InChIKeyCCFFJSLLMWTZHY-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.53
Rot. Bonds3

About 3-chloro-N,N-diethyl-2-hydroxybenzamide

3-chloro-N,N-diethyl-2-hydroxybenzamide (PubChem CID 68591956) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-N,N-diethyl-2-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N,N-diethyl-2-hydroxybenzamide
PubChem CID68591956
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-chloro-N,N-diethyl-2-hydroxybenzamide
SMILESCCN(CC)C(=O)c1cccc(Cl)c1O
InChIInChI=1S/C11H14ClNO2/c1-3-13(4-2)11(15)8-6-5-7-9(12)10(8)14/h5-7,14H,3-4H2,1-2H3
InChIKeyCCFFJSLLMWTZHY-UHFFFAOYSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
3-chloro-N,N-diethyl-2-fluorobenzamide
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CID 50850160
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185
2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395049
2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901309
4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
CID 23857395
N-(2-bromoethyl)-2-chloro-N-ethylbenzamide
CID 80660841
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-diethyl-2-hydroxybenzamide?
The IUPAC name of 3-chloro-N,N-diethyl-2-hydroxybenzamide (CID 68591956) is 3-chloro-N,N-diethyl-2-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N,N-diethyl-2-hydroxybenzamide?
The canonical SMILES for 3-chloro-N,N-diethyl-2-hydroxybenzamide is CCN(CC)C(=O)c1cccc(Cl)c1O.
What is the InChIKey of 3-chloro-N,N-diethyl-2-hydroxybenzamide?
The InChIKey is CCFFJSLLMWTZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-13(4-2)11(15)8-6-5-7-9(12)10(8)14/h5-7,14H,3-4H2,1-2H3.
What are the key properties of 3-chloro-N,N-diethyl-2-hydroxybenzamide?
3-chloro-N,N-diethyl-2-hydroxybenzamide has a molecular weight of 227.69 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-diethyl-2-hydroxybenzamide is sourced from PubChem (CID 68591956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).