4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide

C13H15ClN2O2 — CID 54988577

IUPAC4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide
SMILESCCN(CC(C)C#N)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H15ClN2O2/c1-3-16(8-9(2)7-15)13(18)11-5-4-10(14)6-12(11)17/h4-6,9,17H,3,8H2,1-2H3
InChIKeyTXTDJSIPKUZMIE-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.67
Rot. Bonds4

About 4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide

4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide (PubChem CID 54988577) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide
PubChem CID54988577
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide
SMILESCCN(CC(C)C#N)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H15ClN2O2/c1-3-16(8-9(2)7-15)13(18)11-5-4-10(14)6-12(11)17/h4-6,9,17H,3,8H2,1-2H3
InChIKeyTXTDJSIPKUZMIE-UHFFFAOYSA-N
XLogP2.67
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide
CID 54988535
N-(2-cyanopropyl)-N-ethyl-2,3-dihydroxybenzamide
CID 114343549
4-amino-2-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 61110331
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092
N-(2-cyanopropyl)-N-ethyl-3,4-dihydroxybenzamide
CID 113358258
3-amino-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54906116
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593
4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide
CID 97054732
N-benzyl-4-chloro-N-ethyl-2-hydroxybenzamide
CID 28826070
4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
CID 103189268
5-chloro-N-(2-cyanopropyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 80625372
4-chloro-N-(2-cyanoethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54997017

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide (CID 54988577) is 4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide is CCN(CC(C)C#N)C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide?
The InChIKey is TXTDJSIPKUZMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-16(8-9(2)7-15)13(18)11-5-4-10(14)6-12(11)17/h4-6,9,17H,3,8H2,1-2H3.
What are the key properties of 4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide?
4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide has a molecular weight of 266.73 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide is sourced from PubChem (CID 54988577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).