N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide

C14H20Cl2N2O3 — CID 111112511

IUPACN-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
SMILESO=C(CCN(CCO)CCCO)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O3/c15-11-2-3-12(16)13(10-11)17-14(21)4-6-18(7-9-20)5-1-8-19/h2-3,10,19-20H,1,4-9H2,(H,17,21)
InChIKeyZFQJAFMWRPPDGA-UHFFFAOYSA-N
MW335.23 g/mol
LogP2.00
Rot. Bonds9

About N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide

N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide (PubChem CID 111112511) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
PubChem CID111112511
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC NameN-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
SMILESO=C(CCN(CCO)CCCO)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O3/c15-11-2-3-12(16)13(10-11)17-14(21)4-6-18(7-9-20)5-1-8-19/h2-3,10,19-20H,1,4-9H2,(H,17,21)
InChIKeyZFQJAFMWRPPDGA-UHFFFAOYSA-N
XLogP2.00
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112461
N-(2,6-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112489
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012162
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 56792887
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 102848440
N-(2-chlorophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 60774874
N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61245206
N-(2,5-dichlorophenyl)hexanamide
CID 5055577

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide (CID 111112511) is N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide is O=C(CCN(CCO)CCCO)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide?
The InChIKey is ZFQJAFMWRPPDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3/c15-11-2-3-12(16)13(10-11)17-14(21)4-6-18(7-9-20)5-1-8-19/h2-3,10,19-20H,1,4-9H2,(H,17,21).
What are the key properties of N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide?
N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide has a molecular weight of 335.23 g/mol, XLogP of 2.00, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide is sourced from PubChem (CID 111112511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).