5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide

C16H18ClNO3 — CID 19446135

IUPAC5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C16H18ClNO3/c1-11(2)9-18-16(19)15-7-6-14(21-15)10-20-13-5-3-4-12(17)8-13/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyWTZBTTGBSWWYPZ-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.90
Rot. Bonds6

About 5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide

5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 19446135) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
PubChem CID19446135
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C16H18ClNO3/c1-11(2)9-18-16(19)15-7-6-14(21-15)10-20-13-5-3-4-12(17)8-13/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyWTZBTTGBSWWYPZ-UHFFFAOYSA-N
XLogP3.90
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19417296
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19459272
5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19446192
5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19292519
N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412877
5-[(3-chlorophenoxy)methyl]-N-(2-chlorophenyl)furan-2-carboxamide
CID 35526540
N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19446073
N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455453
5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176390
5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 5039250

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide (CID 19446135) is 5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide is CC(C)CNC(=O)c1ccc(COc2cccc(Cl)c2)o1.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The InChIKey is WTZBTTGBSWWYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-11(2)9-18-16(19)15-7-6-14(21-15)10-20-13-5-3-4-12(17)8-13/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 19446135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).