N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide

C13H20ClN3O3 — CID 61244276

IUPACN-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1N)N(CCO)CCO
InChIInChI=1S/C13H20ClN3O3/c1-9(17(4-6-18)5-7-19)13(20)16-12-8-10(14)2-3-11(12)15/h2-3,8-9,18-19H,4-7,15H2,1H3,(H,16,20)
InChIKeyCQLIXARUKSQBOJ-UHFFFAOYSA-N
MW301.77 g/mol
LogP0.54
Rot. Bonds7

About N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide

N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide (PubChem CID 61244276) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
PubChem CID61244276
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC NameN-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1N)N(CCO)CCO
InChIInChI=1S/C13H20ClN3O3/c1-9(17(4-6-18)5-7-19)13(20)16-12-8-10(14)2-3-11(12)15/h2-3,8-9,18-19H,4-7,15H2,1H3,(H,16,20)
InChIKeyCQLIXARUKSQBOJ-UHFFFAOYSA-N
XLogP0.54
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propanamide
CID 79481495
N-(2-amino-5-chlorophenyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374477
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264543
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263776
N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61243364
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
CID 61023322
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
CID 61303642
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61242810
N-(2-amino-4-chlorophenyl)-2-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63696100

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide (CID 61244276) is N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide is CC(C(=O)Nc1cc(Cl)ccc1N)N(CCO)CCO.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide?
The InChIKey is CQLIXARUKSQBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3/c1-9(17(4-6-18)5-7-19)13(20)16-12-8-10(14)2-3-11(12)15/h2-3,8-9,18-19H,4-7,15H2,1H3,(H,16,20).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide?
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide has a molecular weight of 301.77 g/mol, XLogP of 0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide is sourced from PubChem (CID 61244276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).