N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide

C18H12ClN3O4 — CID 4972157

IUPACN-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1cccc2nonc12)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C18H12ClN3O4/c19-12-4-1-2-7-15(12)24-10-11-8-9-16(25-11)18(23)20-13-5-3-6-14-17(13)22-26-21-14/h1-9H,10H2,(H,20,23)
InChIKeyRQHYUOABHULPSN-UHFFFAOYSA-N
MW369.76 g/mol
LogP4.30
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide

N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 4972157) has the molecular formula C18H12ClN3O4 and a molecular weight of 369.76 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
PubChem CID4972157
Molecular FormulaC18H12ClN3O4
Molecular Weight369.76 g/mol
Exact Mass369.05
IUPAC NameN-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1cccc2nonc12)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C18H12ClN3O4/c19-12-4-1-2-7-15(12)24-10-11-8-9-16(25-11)18(23)20-13-5-3-6-14-17(13)22-26-21-14/h1-9H,10H2,(H,20,23)
InChIKeyRQHYUOABHULPSN-UHFFFAOYSA-N
XLogP4.30
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 4897775
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1269599
5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 1235920
5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide
CID 35325335
5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19415778
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567
N-[2-(2-chlorophenoxy)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 86912166
5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
CID 4139417

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide (CID 4972157) is N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1cccc2nonc12)c1ccc(COc2ccccc2Cl)o1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is RQHYUOABHULPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O4/c19-12-4-1-2-7-15(12)24-10-11-8-9-16(25-11)18(23)20-13-5-3-6-14-17(13)22-26-21-14/h1-9H,10H2,(H,20,23).
What are the key properties of N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 369.76 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 4972157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).