N-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide

C12H8ClF2NO3 — CID 17466014

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccoc1
InChIInChI=1S/C12H8ClF2NO3/c13-9-5-8(1-2-10(9)19-12(14)15)16-11(17)7-3-4-18-6-7/h1-6,12H,(H,16,17)
InChIKeyKVYPFZJGBAHTFC-UHFFFAOYSA-N
MW287.65 g/mol
LogP3.79
Rot. Bonds4

About N-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide (PubChem CID 17466014) has the molecular formula C12H8ClF2NO3 and a molecular weight of 287.65 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide
PubChem CID17466014
Molecular FormulaC12H8ClF2NO3
Molecular Weight287.65 g/mol
Exact Mass287.02
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccoc1
InChIInChI=1S/C12H8ClF2NO3/c13-9-5-8(1-2-10(9)19-12(14)15)16-11(17)7-3-4-18-6-7/h1-6,12H,(H,16,17)
InChIKeyKVYPFZJGBAHTFC-UHFFFAOYSA-N
XLogP3.79
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.65
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
CID 2932860
5-Methyl-furan-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 1075689
N-(5-chloro-2-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 844961
N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 903579
N-(5-chloro-2,4-dimethoxyphenyl)-2-methylfuran-3-carboxamide
CID 1244294
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44526165
N-(3-chloro-4-fluorophenyl)-2-methylfuran-3-carboxamide
CID 705602
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
CID 8777631
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44526143
N-(4-chloro-2-fluorophenyl)-2-methylfuran-3-carboxamide
CID 831624
N-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 896199
N-(3-chloro-2-methylphenyl)-2-methylfuran-3-carboxamide
CID 705603

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide (CID 17466014) is N-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccoc1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide?
The InChIKey is KVYPFZJGBAHTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO3/c13-9-5-8(1-2-10(9)19-12(14)15)16-11(17)7-3-4-18-6-7/h1-6,12H,(H,16,17).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide has a molecular weight of 287.65 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]furan-3-carboxamide is sourced from PubChem (CID 17466014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).