N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide

C12H15ClN2O3 — CID 108509469

IUPACN-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide
SMILESCc1cc(O)ccc1NC(=O)C(=O)NCCCCl
InChIInChI=1S/C12H15ClN2O3/c1-8-7-9(16)3-4-10(8)15-12(18)11(17)14-6-2-5-13/h3-4,7,16H,2,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyNFDXKLGTONLHJU-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.38
Rot. Bonds4

About N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide

N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide (PubChem CID 108509469) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide
PubChem CID108509469
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC NameN-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide
SMILESCc1cc(O)ccc1NC(=O)C(=O)NCCCCl
InChIInChI=1S/C12H15ClN2O3/c1-8-7-9(16)3-4-10(8)15-12(18)11(17)14-6-2-5-13/h3-4,7,16H,2,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyNFDXKLGTONLHJU-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-hydroxy-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 108509660
N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108513846
(Z)-3-(3-chloropropylamino)-2-cyano-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 108843281
N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512188
N-(4-hydroxy-2-methylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108509461
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
CID 107673272
N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108505393
N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 124624751
N'-(4-bromo-2-methylphenyl)-N-hexyloxamide
CID 47148018
N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503020
1-(4-hydroxy-2-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883755

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide?
The IUPAC name of N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide (CID 108509469) is N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide.
What is the SMILES notation for N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide?
The canonical SMILES for N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide is Cc1cc(O)ccc1NC(=O)C(=O)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide?
The InChIKey is NFDXKLGTONLHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8-7-9(16)3-4-10(8)15-12(18)11(17)14-6-2-5-13/h3-4,7,16H,2,5-6H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide?
N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide has a molecular weight of 270.72 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide is sourced from PubChem (CID 108509469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).