N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide

C20H17F2N3O3 — CID 60611979

IUPACN-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide
SMILESCC(NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H17F2N3O3/c1-12(13-5-6-17(21)18(22)9-13)23-20(27)25-16-4-2-3-15(10-16)24-19(26)14-7-8-28-11-14/h2-12H,1H3,(H,24,26)(H2,23,25,27)
InChIKeyJSHTXBIGEFRTMZ-UHFFFAOYSA-N
MW385.37 g/mol
LogP4.69
Rot. Bonds5

About N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide

N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide (PubChem CID 60611979) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide
PubChem CID60611979
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC NameN-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide
SMILESCC(NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H17F2N3O3/c1-12(13-5-6-17(21)18(22)9-13)23-20(27)25-16-4-2-3-15(10-16)24-19(26)14-7-8-28-11-14/h2-12H,1H3,(H,24,26)(H2,23,25,27)
InChIKeyJSHTXBIGEFRTMZ-UHFFFAOYSA-N
XLogP4.69
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
CID 51265265
1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47039459
N-[3-[1-(ethylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507852
1-(3,5-difluorophenyl)-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47033191
N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057320
N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
CID 51264786
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55651965
1-[1-(3,4-difluorophenyl)ethyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47033453
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 27869518
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea
CID 112825000

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide (CID 60611979) is N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide is CC(NC(=O)Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide?
The InChIKey is JSHTXBIGEFRTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-12(13-5-6-17(21)18(22)9-13)23-20(27)25-16-4-2-3-15(10-16)24-19(26)14-7-8-28-11-14/h2-12H,1H3,(H,24,26)(H2,23,25,27).
What are the key properties of N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide?
N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 4.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide is sourced from PubChem (CID 60611979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).