N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide

C18H13ClFNO3 — CID 28667544

IUPACN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide
SMILESO=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc(F)c1
InChIInChI=1S/C18H13ClFNO3/c19-15-6-4-11(17-7-5-14(10-22)24-17)9-16(15)21-18(23)12-2-1-3-13(20)8-12/h1-9,22H,10H2,(H,21,23)
InChIKeyQWPNFRMKMPKHPI-UHFFFAOYSA-N
MW345.76 g/mol
LogP4.48
Rot. Bonds4

About N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide

N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide (PubChem CID 28667544) has the molecular formula C18H13ClFNO3 and a molecular weight of 345.76 g/mol. Its IUPAC name is N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide
PubChem CID28667544
Molecular FormulaC18H13ClFNO3
Molecular Weight345.76 g/mol
Exact Mass345.06
IUPAC NameN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide
SMILESO=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc(F)c1
InChIInChI=1S/C18H13ClFNO3/c19-15-6-4-11(17-7-5-14(10-22)24-17)9-16(15)21-18(23)12-2-1-3-13(20)8-12/h1-9,22H,10H2,(H,21,23)
InChIKeyQWPNFRMKMPKHPI-UHFFFAOYSA-N
XLogP4.48
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide
CID 28668422
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide
CID 28672123
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 28670975
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
2,4-dichloro-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28668130
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide
CID 28666706
3,4-dichloro-N-[[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]benzamide
CID 28687341
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-propoxybenzamide
CID 28672597
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide
CID 28665680
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-chlorophenyl)acetamide
CID 28666384
N-[[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 28687406
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-methylbutanamide
CID 28666016

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide (CID 28667544) is N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide is O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc(F)c1.
What is the InChIKey of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide?
The InChIKey is QWPNFRMKMPKHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO3/c19-15-6-4-11(17-7-5-14(10-22)24-17)9-16(15)21-18(23)12-2-1-3-13(20)8-12/h1-9,22H,10H2,(H,21,23).
What are the key properties of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide?
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide has a molecular weight of 345.76 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 28667544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).