N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide

C11H12Cl2N2O3 — CID 2266325

IUPACN'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N2O3/c12-7-3-1-4-8(9(7)13)15-11(18)10(17)14-5-2-6-16/h1,3-4,16H,2,5-6H2,(H,14,17)(H,15,18)
InChIKeyNJLBZLZQDLJISC-UHFFFAOYSA-N
MW291.13 g/mol
LogP1.43
Rot. Bonds4

About N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide

N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide (PubChem CID 2266325) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide
PubChem CID2266325
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC NameN'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2N2O3/c12-7-3-1-4-8(9(7)13)15-11(18)10(17)14-5-2-6-16/h1,3-4,16H,2,5-6H2,(H,14,17)(H,15,18)
InChIKeyNJLBZLZQDLJISC-UHFFFAOYSA-N
XLogP1.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide
CID 620497
N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide
CID 3102414
N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide
CID 44999728
N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3107625
N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide
CID 86996127
N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide
CID 108524213
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868
N'-(2,3-dichlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 3972637
N-(3-hydroxypropyl)-N'-(2-propylphenyl)oxamide
CID 47224610
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide
CID 4607386

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide?
The IUPAC name of N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide (CID 2266325) is N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide.
What is the SMILES notation for N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide?
The canonical SMILES for N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide is O=C(NCCCO)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide?
The InChIKey is NJLBZLZQDLJISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c12-7-3-1-4-8(9(7)13)15-11(18)10(17)14-5-2-6-16/h1,3-4,16H,2,5-6H2,(H,14,17)(H,15,18).
What are the key properties of N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide?
N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide has a molecular weight of 291.13 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide is sourced from PubChem (CID 2266325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).