N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide

C16H17ClN2O4 — CID 121084227

IUPACN-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NC(C)Cc1ccco1
InChIInChI=1S/C16H17ClN2O4/c1-10(8-12-4-3-7-23-12)18-15(20)16(21)19-13-9-11(17)5-6-14(13)22-2/h3-7,9-10H,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYMUSBOWTFQJHOI-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.63
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide

N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide (PubChem CID 121084227) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide
PubChem CID121084227
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NC(C)Cc1ccco1
InChIInChI=1S/C16H17ClN2O4/c1-10(8-12-4-3-7-23-12)18-15(20)16(21)19-13-9-11(17)5-6-14(13)22-2/h3-7,9-10H,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYMUSBOWTFQJHOI-UHFFFAOYSA-N
XLogP2.63
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide
CID 121145738
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 51471617
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea
CID 47171952
1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605306
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9167118
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-hydroxybenzamide
CID 47168819
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
CID 45000696
N'-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2247281

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide (CID 121084227) is N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)NC(C)Cc1ccco1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide?
The InChIKey is YMUSBOWTFQJHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-10(8-12-4-3-7-23-12)18-15(20)16(21)19-13-9-11(17)5-6-14(13)22-2/h3-7,9-10H,8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide?
N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide has a molecular weight of 336.78 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide is sourced from PubChem (CID 121084227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).