N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide

C14H19ClN2O3 — CID 108519738

IUPACN-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C14H19ClN2O3/c1-3-7-17(8-4-2)14(20)13(19)16-11-9-10(15)5-6-12(11)18/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,16,19)
InChIKeyZAQJKUYPCCOPNZ-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.63
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide

N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide (PubChem CID 108519738) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide
PubChem CID108519738
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide
SMILESCCCN(CCC)C(=O)C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C14H19ClN2O3/c1-3-7-17(8-4-2)14(20)13(19)16-11-9-10(15)5-6-12(11)18/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,16,19)
InChIKeyZAQJKUYPCCOPNZ-UHFFFAOYSA-N
XLogP2.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N-(5-chloro-2-hydroxyphenyl)-N'-ethyloxamide
CID 108519777
N-(2,5-dichlorophenyl)-N',N'-diethyloxamide
CID 39370052
N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide
CID 108509860
N-(4-hydroxy-2-methylphenyl)-N',N'-dipropyloxamide
CID 108509587
N-(2,5-dimethylphenyl)-N',N'-dipropyloxamide
CID 108528705
N'-(5-chloro-2-hydroxyphenyl)-N-(4-chlorophenyl)oxamide
CID 108516598
methyl 4-chloro-3-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108986502
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894768
N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide
CID 47335971
N-(5-chloro-2-methoxyphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 47336209
N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide
CID 108509295

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide (CID 108519738) is N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide is CCCN(CCC)C(=O)C(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide?
The InChIKey is ZAQJKUYPCCOPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-3-7-17(8-4-2)14(20)13(19)16-11-9-10(15)5-6-12(11)18/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide?
N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide has a molecular weight of 298.77 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide is sourced from PubChem (CID 108519738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).