2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide

C17H19F2N3O4 — CID 51291262

IUPAC2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)NCCc1ccc(OC(F)F)cc1)NCc1ccco1
InChIInChI=1S/C17H19F2N3O4/c18-16(19)26-13-5-3-12(4-6-13)7-8-20-17(24)22-11-15(23)21-10-14-2-1-9-25-14/h1-6,9,16H,7-8,10-11H2,(H,21,23)(H2,20,22,24)
InChIKeyKZNGRIRGIDELOW-UHFFFAOYSA-N
MW367.35 g/mol
LogP2.04
Rot. Bonds9

About 2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide

2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 51291262) has the molecular formula C17H19F2N3O4 and a molecular weight of 367.35 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID51291262
Molecular FormulaC17H19F2N3O4
Molecular Weight367.35 g/mol
Exact Mass367.13
IUPAC Name2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNC(=O)NCCc1ccc(OC(F)F)cc1)NCc1ccco1
InChIInChI=1S/C17H19F2N3O4/c18-16(19)26-13-5-3-12(4-6-13)7-8-20-17(24)22-11-15(23)21-10-14-2-1-9-25-14/h1-6,9,16H,7-8,10-11H2,(H,21,23)(H2,20,22,24)
InChIKeyKZNGRIRGIDELOW-UHFFFAOYSA-N
XLogP2.04
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 46655328
2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 61258827
2-[[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 94828042
4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 35335808
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 9010152
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
1-(furan-2-ylmethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217080
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 55912713
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 19225996
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912541

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide (CID 51291262) is 2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide is O=C(CNC(=O)NCCc1ccc(OC(F)F)cc1)NCc1ccco1.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KZNGRIRGIDELOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O4/c18-16(19)26-13-5-3-12(4-6-13)7-8-20-17(24)22-11-15(23)21-10-14-2-1-9-25-14/h1-6,9,16H,7-8,10-11H2,(H,21,23)(H2,20,22,24).
What are the key properties of 2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide?
2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 367.35 g/mol, XLogP of 2.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 51291262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).