4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide

C20H17F2N3O4 — CID 35335808

IUPAC4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide
SMILESO=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H17F2N3O4/c21-19(22)29-16-9-3-13(4-10-16)18(26)24-14-5-7-15(8-6-14)25-20(27)23-12-17-2-1-11-28-17/h1-11,19H,12H2,(H,24,26)(H2,23,25,27)
InChIKeyCNGGYJVKTXFTAR-UHFFFAOYSA-N
MW401.37 g/mol
LogP4.45
Rot. Bonds7

About 4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide

4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide (PubChem CID 35335808) has the molecular formula C20H17F2N3O4 and a molecular weight of 401.37 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide
PubChem CID35335808
Molecular FormulaC20H17F2N3O4
Molecular Weight401.37 g/mol
Exact Mass401.12
IUPAC Name4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide
SMILESO=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H17F2N3O4/c21-19(22)29-16-9-3-13(4-10-16)18(26)24-14-5-7-15(8-6-14)25-20(27)23-12-17-2-1-11-28-17/h1-11,19H,12H2,(H,24,26)(H2,23,25,27)
InChIKeyCNGGYJVKTXFTAR-UHFFFAOYSA-N
XLogP4.45
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 134050707
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 29367445
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 29367485
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide
CID 35338148
1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
CID 47129823
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352879
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2,2-diphenylacetamide
CID 35335039
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide (CID 35335808) is 4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide is O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide?
The InChIKey is CNGGYJVKTXFTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O4/c21-19(22)29-16-9-3-13(4-10-16)18(26)24-14-5-7-15(8-6-14)25-20(27)23-12-17-2-1-11-28-17/h1-11,19H,12H2,(H,24,26)(H2,23,25,27).
What are the key properties of 4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide?
4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide has a molecular weight of 401.37 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 35335808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).