N,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide

C19H9Cl2F6NO2 — CID 3442013

IUPACN,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C19H9Cl2F6NO2/c20-12-3-1-9(18(22,23)24)7-11(12)15-5-6-16(30-15)17(29)28-14-8-10(19(25,26)27)2-4-13(14)21/h1-8H,(H,28,29)
InChIKeyGZIHDRHNRHJWQT-UHFFFAOYSA-N
MW468.18 g/mol
LogP7.54
Rot. Bonds3

About N,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide

N,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 3442013) has the molecular formula C19H9Cl2F6NO2 and a molecular weight of 468.18 g/mol. Its IUPAC name is N,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID3442013
Molecular FormulaC19H9Cl2F6NO2
Molecular Weight468.18 g/mol
Exact Mass466.99
IUPAC NameN,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C19H9Cl2F6NO2/c20-12-3-1-9(18(22,23)24)7-11(12)15-5-6-16(30-15)17(29)28-14-8-10(19(25,26)27)2-4-13(14)21/h1-8H,(H,28,29)
InChIKeyGZIHDRHNRHJWQT-UHFFFAOYSA-N
XLogP7.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.18
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 3442013) is N,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1.
What is the InChIKey of N,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is GZIHDRHNRHJWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl2F6NO2/c20-12-3-1-9(18(22,23)24)7-11(12)15-5-6-16(30-15)17(29)28-14-8-10(19(25,26)27)2-4-13(14)21/h1-8H,(H,28,29).
What are the key properties of N,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
N,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 468.18 g/mol, XLogP of 7.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 3442013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).