N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide

C16H10ClF3N4O2 — CID 113050628

IUPACN-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nn1)c1ccco1
InChIInChI=1S/C16H10ClF3N4O2/c17-11-4-3-9(8-10(11)16(18,19)20)21-13-5-6-14(24-23-13)22-15(25)12-2-1-7-26-12/h1-8H,(H,21,23)(H,22,24,25)
InChIKeyHBAQKOQLZNONTM-UHFFFAOYSA-N
MW382.73 g/mol
LogP4.74
Rot. Bonds4

About N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide

N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide (PubChem CID 113050628) has the molecular formula C16H10ClF3N4O2 and a molecular weight of 382.73 g/mol. Its IUPAC name is N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide
PubChem CID113050628
Molecular FormulaC16H10ClF3N4O2
Molecular Weight382.73 g/mol
Exact Mass382.04
IUPAC NameN-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nn1)c1ccco1
InChIInChI=1S/C16H10ClF3N4O2/c17-11-4-3-9(8-10(11)16(18,19)20)21-13-5-6-14(24-23-13)22-15(25)12-2-1-7-26-12/h1-8H,(H,21,23)(H,22,24,25)
InChIKeyHBAQKOQLZNONTM-UHFFFAOYSA-N
XLogP4.74
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113047767
N-[4-[(2-chlorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43041357
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113035477
N-[4-carbamothioyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 65483387
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109155464
N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 8919733
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113034810
N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113050980
N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide
CID 113049661
N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 52690705
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113050490
5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062355

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide (CID 113050628) is N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide is O=C(Nc1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nn1)c1ccco1.
What is the InChIKey of N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide?
The InChIKey is HBAQKOQLZNONTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O2/c17-11-4-3-9(8-10(11)16(18,19)20)21-13-5-6-14(24-23-13)22-15(25)12-2-1-7-26-12/h1-8H,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide?
N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide has a molecular weight of 382.73 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 113050628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).