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

C16H17ClN2O5 — CID 121145738

IUPACN'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCC(OC)c1ccco1
InChIInChI=1S/C16H17ClN2O5/c1-22-12-6-5-10(17)8-11(12)19-16(21)15(20)18-9-14(23-2)13-4-3-7-24-13/h3-8,14H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMECNSDQQBDKXJW-UHFFFAOYSA-N
MW352.77 g/mol
LogP2.38
Rot. Bonds6

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

N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide (PubChem CID 121145738) has the molecular formula C16H17ClN2O5 and a molecular weight of 352.77 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide
PubChem CID121145738
Molecular FormulaC16H17ClN2O5
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCC(OC)c1ccco1
InChIInChI=1S/C16H17ClN2O5/c1-22-12-6-5-10(17)8-11(12)19-16(21)15(20)18-9-14(23-2)13-4-3-7-24-13/h3-8,14H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMECNSDQQBDKXJW-UHFFFAOYSA-N
XLogP2.38
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623201
N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 51471617
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 16875570
N-(5-chloro-2-methoxyphenyl)-N'-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084227
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 129373912
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 129357962
N'-(2-cyanophenyl)-N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]oxamide
CID 99876513
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 121021294
N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 99876506
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 99876507
methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate
CID 121145445
N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502199

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide (CID 121145738) is N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)NCC(OC)c1ccco1.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide?
The InChIKey is MECNSDQQBDKXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5/c1-22-12-6-5-10(17)8-11(12)19-16(21)15(20)18-9-14(23-2)13-4-3-7-24-13/h3-8,14H,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide?
N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide has a molecular weight of 352.77 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N-[2-(furan-2-yl)-2-methoxyethyl]oxamide is sourced from PubChem (CID 121145738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).