N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide

C16H18ClNO3 — CID 717019

IUPACN-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C16H18ClNO3/c1-16(2,3)18-15(19)14-9-8-13(21-14)10-20-12-6-4-11(17)5-7-12/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyXIGXVRAZQLHDEF-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.04
Rot. Bonds4

About N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide

N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 717019) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
PubChem CID717019
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC NameN-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C16H18ClNO3/c1-16(2,3)18-15(19)14-9-8-13(21-14)10-20-12-6-4-11(17)5-7-12/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyXIGXVRAZQLHDEF-UHFFFAOYSA-N
XLogP4.04
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
CID 4740544
methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate
CID 7919225
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
5-[(4-chlorophenoxy)methyl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 19415421
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
5-[(4-tert-butylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450736
N-(5-chloro-2-methylphenyl)-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19415875
5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide
CID 19415422
5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide
CID 3549006
5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 19415409
N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide (CID 717019) is N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide is CC(C)(C)NC(=O)c1ccc(COc2ccc(Cl)cc2)o1.
What is the InChIKey of N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is XIGXVRAZQLHDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-16(2,3)18-15(19)14-9-8-13(21-14)10-20-12-6-4-11(17)5-7-12/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide?
N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 717019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).