N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide

C18H21ClN2O4 — CID 121133274

IUPACN'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
SMILESCc1cc(C(O)CCNC(=O)C(=O)Nc2cc(Cl)ccc2C)c(C)o1
InChIInChI=1S/C18H21ClN2O4/c1-10-4-5-13(19)9-15(10)21-18(24)17(23)20-7-6-16(22)14-8-11(2)25-12(14)3/h4-5,8-9,16,22H,6-7H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyVHTUQOUHUQAXCI-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.04
Rot. Bonds5

About N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide

N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide (PubChem CID 121133274) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
PubChem CID121133274
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
SMILESCc1cc(C(O)CCNC(=O)C(=O)Nc2cc(Cl)ccc2C)c(C)o1
InChIInChI=1S/C18H21ClN2O4/c1-10-4-5-13(19)9-15(10)21-18(24)17(23)20-7-6-16(22)14-8-11(2)25-12(14)3/h4-5,8-9,16,22H,6-7H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyVHTUQOUHUQAXCI-UHFFFAOYSA-N
XLogP3.04
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.04
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-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 97042989
N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 121133272
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573
N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 97106459
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132300
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methylpropanamide
CID 121133010
2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide
CID 121133095
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
CID 121133006
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide
CID 121133057
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 121133041
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
CID 121133019

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide (CID 121133274) is N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide is Cc1cc(C(O)CCNC(=O)C(=O)Nc2cc(Cl)ccc2C)c(C)o1.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The InChIKey is VHTUQOUHUQAXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-10-4-5-13(19)9-15(10)21-18(24)17(23)20-7-6-16(22)14-8-11(2)25-12(14)3/h4-5,8-9,16,22H,6-7H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide has a molecular weight of 364.83 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide is sourced from PubChem (CID 121133274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).