3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide

C12H7ClF3NO3 — CID 54421762

IUPAC3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide
SMILESO=C1C=C(NC(=O)c2ccc(C(F)(F)F)c(Cl)c2)CO1
InChIInChI=1S/C12H7ClF3NO3/c13-9-3-6(1-2-8(9)12(14,15)16)11(19)17-7-4-10(18)20-5-7/h1-4H,5H2,(H,17,19)
InChIKeyWBHWOMCNRYILKD-UHFFFAOYSA-N
MW305.64 g/mol
LogP2.53
Rot. Bonds2

About 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide

3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 54421762) has the molecular formula C12H7ClF3NO3 and a molecular weight of 305.64 g/mol. Its IUPAC name is 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID54421762
Molecular FormulaC12H7ClF3NO3
Molecular Weight305.64 g/mol
Exact Mass305.01
IUPAC Name3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide
SMILESO=C1C=C(NC(=O)c2ccc(C(F)(F)F)c(Cl)c2)CO1
InChIInChI=1S/C12H7ClF3NO3/c13-9-3-6(1-2-8(9)12(14,15)16)11(19)17-7-4-10(18)20-5-7/h1-4H,5H2,(H,17,19)
InChIKeyWBHWOMCNRYILKD-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.64
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5310895
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3-chloro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
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N-(5-oxo-2H-furan-3-yl)-3-(trifluoromethyl)benzamide
CID 53734113
N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide
CID 54348973
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Ethyl 3-[(2,4-dichlorobenzoyl)amino]-4,4,4-trifluorobut-2-enoate
CID 3794460
ethyl (E)-3-[(2,4-dichlorobenzoyl)amino]-4,4,4-trifluoro-2-butenoate
CID 5924778
Allyl 2-[(2-chlorobenzoyl)amino]-3-phenylacrylate
CID 5733083
2-Butenoic acid, 3-[(4-chlorobenzoyl)amino]-, ethyl ester
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Ethyl 2-[(2-chlorobenzoyl)amino]-3-methylbut-2-enoate
CID 13689926
Ethyl 2-[(3-chlorobenzoyl)amino]-3-methylbut-2-enoate
CID 13689927

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide (CID 54421762) is 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide is O=C1C=C(NC(=O)c2ccc(C(F)(F)F)c(Cl)c2)CO1.
What is the InChIKey of 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is WBHWOMCNRYILKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO3/c13-9-3-6(1-2-8(9)12(14,15)16)11(19)17-7-4-10(18)20-5-7/h1-4H,5H2,(H,17,19).
What are the key properties of 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide?
3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 305.64 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-oxo-2H-furan-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 54421762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).