N-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide

C19H14ClN3O4 — CID 70787811

IUPACN-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(-n2ccnc2-c2ccc(CO)o2)ccc1Cl)c1ccco1
InChIInChI=1S/C19H14ClN3O4/c20-14-5-3-12(10-15(14)22-19(25)17-2-1-9-26-17)23-8-7-21-18(23)16-6-4-13(11-24)27-16/h1-10,24H,11H2,(H,22,25)
InChIKeySBTGWFNHKHHSLN-UHFFFAOYSA-N
MW383.79 g/mol
LogP4.12
Rot. Bonds5

About N-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide

N-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide (PubChem CID 70787811) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is N-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide
PubChem CID70787811
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC NameN-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(-n2ccnc2-c2ccc(CO)o2)ccc1Cl)c1ccco1
InChIInChI=1S/C19H14ClN3O4/c20-14-5-3-12(10-15(14)22-19(25)17-2-1-9-26-17)23-8-7-21-18(23)16-6-4-13(11-24)27-16/h1-10,24H,11H2,(H,22,25)
InChIKeySBTGWFNHKHHSLN-UHFFFAOYSA-N
XLogP4.12
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]furan-2-carboxamide
CID 28687599
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]furan-2-carboxamide
CID 53118353
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide
CID 22433465
N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 661545
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide
CID 28667544
N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide
CID 50882067
N-(7-chloro-8-methylquinolin-4-yl)furan-2-carboxamide
CID 43860186
N-(8-chloroquinolin-5-yl)furan-2-carboxamide
CID 33316746
2,4-dichloro-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28668130
N-(5-chloro-4,6-dimethyl-3-pyridinyl)furan-2-carboxamide
CID 75537595
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide (CID 70787811) is N-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide is O=C(Nc1cc(-n2ccnc2-c2ccc(CO)o2)ccc1Cl)c1ccco1.
What is the InChIKey of N-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is SBTGWFNHKHHSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c20-14-5-3-12(10-15(14)22-19(25)17-2-1-9-26-17)23-8-7-21-18(23)16-6-4-13(11-24)27-16/h1-10,24H,11H2,(H,22,25).
What are the key properties of N-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide?
N-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 383.79 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 70787811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).