5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide

C18H20ClNO4 — CID 86836755

IUPAC5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(Cl)o3)CCOCC2)cc1
InChIInChI=1S/C18H20ClNO4/c1-22-14-4-2-13(3-5-14)18(8-10-23-11-9-18)12-20-17(21)15-6-7-16(19)24-15/h2-7H,8-12H2,1H3,(H,20,21)
InChIKeyYMFBGFDEGQOPEE-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.42
Rot. Bonds5

About 5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide

5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide (PubChem CID 86836755) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is 5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
PubChem CID86836755
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(Cl)o3)CCOCC2)cc1
InChIInChI=1S/C18H20ClNO4/c1-22-14-4-2-13(3-5-14)18(8-10-23-11-9-18)12-20-17(21)15-6-7-16(19)24-15/h2-7H,8-12H2,1H3,(H,20,21)
InChIKeyYMFBGFDEGQOPEE-UHFFFAOYSA-N
XLogP3.42
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448908
2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448939
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 127033831
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide
CID 71707663
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901459
N'-(2-chlorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 27452218
5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 120625700
2-ethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448887
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71709201
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide (CID 86836755) is 5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide is COc1ccc(C2(CNC(=O)c3ccc(Cl)o3)CCOCC2)cc1.
What is the InChIKey of 5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide?
The InChIKey is YMFBGFDEGQOPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-22-14-4-2-13(3-5-14)18(8-10-23-11-9-18)12-20-17(21)15-6-7-16(19)24-15/h2-7H,8-12H2,1H3,(H,20,21).
What are the key properties of 5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide?
5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide has a molecular weight of 349.81 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 86836755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).