2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide

C12H15Cl2NO2 — CID 60655751

IUPAC2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-2-5-15(6-7-16)12(17)10-4-3-9(13)8-11(10)14/h3-4,8,16H,2,5-7H2,1H3
InChIKeyJLKZRLLGLVJTAT-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.84
Rot. Bonds5

About 2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide

2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide (PubChem CID 60655751) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
PubChem CID60655751
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-2-5-15(6-7-16)12(17)10-4-3-9(13)8-11(10)14/h3-4,8,16H,2,5-7H2,1H3
InChIKeyJLKZRLLGLVJTAT-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60967608
2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
5-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655961
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 82771632
2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
2-bromo-5-chloro-N,N-dipropylbenzamide
CID 78849542
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 60747371
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
N-(2-bromoethyl)-5-chloro-2-fluoro-N-propylbenzamide
CID 80665950
2-chloro-N,N-bis(2-hydroxyethyl)-4-nitrobenzamide
CID 60653170
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 107722509

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide?
The IUPAC name of 2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide (CID 60655751) is 2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide is CCCN(CCO)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide?
The InChIKey is JLKZRLLGLVJTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-2-5-15(6-7-16)12(17)10-4-3-9(13)8-11(10)14/h3-4,8,16H,2,5-7H2,1H3.
What are the key properties of 2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide?
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide has a molecular weight of 276.16 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide is sourced from PubChem (CID 60655751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).