N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide

C15H15ClN2O4 — CID 110893757

IUPACN'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(O)c2ccco2)cc1Cl
InChIInChI=1S/C15H15ClN2O4/c1-9-4-5-10(7-11(9)16)18-15(21)14(20)17-8-12(19)13-3-2-6-22-13/h2-7,12,19H,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyQUUGMNKTXPEXRK-UHFFFAOYSA-N
MW322.75 g/mol
LogP2.03
Rot. Bonds4

About N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide

N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide (PubChem CID 110893757) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
PubChem CID110893757
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(O)c2ccco2)cc1Cl
InChIInChI=1S/C15H15ClN2O4/c1-9-4-5-10(7-11(9)16)18-15(21)14(20)17-8-12(19)13-3-2-6-22-13/h2-7,12,19H,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyQUUGMNKTXPEXRK-UHFFFAOYSA-N
XLogP2.03
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787751
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]oxamide
CID 96530973
N'-(3-chloro-4-methylphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 122265865
N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523908
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-N'-(3-chloro-4-methylphenyl)oxamide
CID 100726740
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide
CID 2291750
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide
CID 163347266

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide (CID 110893757) is N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide is Cc1ccc(NC(=O)C(=O)NCC(O)c2ccco2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide?
The InChIKey is QUUGMNKTXPEXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-9-4-5-10(7-11(9)16)18-15(21)14(20)17-8-12(19)13-3-2-6-22-13/h2-7,12,19H,8H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide?
N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide has a molecular weight of 322.75 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide is sourced from PubChem (CID 110893757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).