5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide

C15H16ClNO3 — CID 6458696

IUPAC5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C15H16ClNO3/c1-10(2)17-15(18)14-8-7-11(20-14)9-19-13-6-4-3-5-12(13)16/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyCXBQBJPYVRIMKZ-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.65
Rot. Bonds5

About 5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide

5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 6458696) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID6458696
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C15H16ClNO3/c1-10(2)17-15(18)14-8-7-11(20-14)9-19-13-6-4-3-5-12(13)16/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyCXBQBJPYVRIMKZ-UHFFFAOYSA-N
XLogP3.65
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate
CID 19578393
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19446371
5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19461875
5-[(2-chlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753482
5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
CID 4139417
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
5-[(2-chlorophenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
CID 3660032
5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 1235920
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19458716
5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19458762

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide (CID 6458696) is 5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide is CC(C)NC(=O)c1ccc(COc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is CXBQBJPYVRIMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-10(2)17-15(18)14-8-7-11(20-14)9-19-13-6-4-3-5-12(13)16/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 6458696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).