2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide

C12H15Cl2NO2 — CID 106503200

IUPAC2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide
SMILESCCN(CCCCl)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-2-15(7-3-6-13)12(17)10-8-9(16)4-5-11(10)14/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyPNFOGWFBSSOPCS-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.14
Rot. Bonds5

About 2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide

2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide (PubChem CID 106503200) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide
PubChem CID106503200
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide
SMILESCCN(CCCCl)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-2-15(7-3-6-13)12(17)10-8-9(16)4-5-11(10)14/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyPNFOGWFBSSOPCS-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutyl-2-chloro-5-hydroxybenzamide
CID 106501357
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677539
2-chloro-N-(cyanomethyl)-5-hydroxy-N-propylbenzamide
CID 106500989
2-bromo-N-(3-chloropropyl)-N-ethyl-5-methoxybenzamide
CID 113469141
methyl 2-[(2-chloro-5-hydroxybenzoyl)-propylamino]acetate
CID 106501642
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-methylsulfanylbenzamide
CID 113339473
N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide
CID 106500076
N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide
CID 106499987
N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide
CID 107673175
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63394967
N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
CID 51166063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide?
The IUPAC name of 2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide (CID 106503200) is 2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide.
What is the SMILES notation for 2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide?
The canonical SMILES for 2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide is CCN(CCCCl)C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide?
The InChIKey is PNFOGWFBSSOPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-2-15(7-3-6-13)12(17)10-8-9(16)4-5-11(10)14/h4-5,8,16H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide?
2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide has a molecular weight of 276.16 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide is sourced from PubChem (CID 106503200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).