N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide

C20H18FN3O4 — CID 60554186

IUPACN-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)Nc1ccccc1Oc1cccc(F)c1
InChIInChI=1S/C20H18FN3O4/c21-14-5-3-6-15(13-14)28-17-8-2-1-7-16(17)24-20(26)23-11-10-22-19(25)18-9-4-12-27-18/h1-9,12-13H,10-11H2,(H,22,25)(H2,23,24,26)
InChIKeyDENWMBWFWQAJFO-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.76
Rot. Bonds7

About N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide

N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide (PubChem CID 60554186) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide
PubChem CID60554186
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC NameN-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)Nc1ccccc1Oc1cccc(F)c1
InChIInChI=1S/C20H18FN3O4/c21-14-5-3-6-15(13-14)28-17-8-2-1-7-16(17)24-20(26)23-11-10-22-19(25)18-9-4-12-27-18/h1-9,12-13H,10-11H2,(H,22,25)(H2,23,24,26)
InChIKeyDENWMBWFWQAJFO-UHFFFAOYSA-N
XLogP3.76
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide
CID 24681410
1-(2-phenoxyphenyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 74225420
N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36505080
N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide
CID 113102920
1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 108988918
1-(2,4-difluorophenyl)-3-(2-phenoxyphenyl)urea
CID 108992692
N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
CID 47031833
N-[2-[(2,5-difluorophenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31820162
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenoxy)phenyl]acetamide;hydrochloride
CID 119745784
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
N-[2-(2-chlorophenoxy)phenyl]furan-2-carboxamide
CID 17468939
N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 771844

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide (CID 60554186) is N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide is O=C(NCCNC(=O)c1ccco1)Nc1ccccc1Oc1cccc(F)c1.
What is the InChIKey of N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide?
The InChIKey is DENWMBWFWQAJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c21-14-5-3-6-15(13-14)28-17-8-2-1-7-16(17)24-20(26)23-11-10-22-19(25)18-9-4-12-27-18/h1-9,12-13H,10-11H2,(H,22,25)(H2,23,24,26).
What are the key properties of N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide?
N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 60554186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).