N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide

C20H16F2N2O5 — CID 55505645

IUPACN-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1OC(F)F
InChIInChI=1S/C20H16F2N2O5/c1-27-15-5-2-4-14(17(15)29-20(21)22)18(25)23-12-7-9-13(10-8-12)24-19(26)16-6-3-11-28-16/h2-11,20H,1H3,(H,23,25)(H,24,26)
InChIKeyPBEJHMGSFKOOMY-UHFFFAOYSA-N
MW402.35 g/mol
LogP4.39
Rot. Bonds7

About N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide

N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide (PubChem CID 55505645) has the molecular formula C20H16F2N2O5 and a molecular weight of 402.35 g/mol. Its IUPAC name is N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide
PubChem CID55505645
Molecular FormulaC20H16F2N2O5
Molecular Weight402.35 g/mol
Exact Mass402.10
IUPAC NameN-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1OC(F)F
InChIInChI=1S/C20H16F2N2O5/c1-27-15-5-2-4-14(17(15)29-20(21)22)18(25)23-12-7-9-13(10-8-12)24-19(26)16-6-3-11-28-16/h2-11,20H,1H3,(H,23,25)(H,24,26)
InChIKeyPBEJHMGSFKOOMY-UHFFFAOYSA-N
XLogP4.39
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.35
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide
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CID 51147930
2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 55342317
N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55551005
N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55331140
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
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N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
CID 26901544
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CID 51337639

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide (CID 55505645) is N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide is COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1OC(F)F.
What is the InChIKey of N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is PBEJHMGSFKOOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O5/c1-27-15-5-2-4-14(17(15)29-20(21)22)18(25)23-12-7-9-13(10-8-12)24-19(26)16-6-3-11-28-16/h2-11,20H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide?
N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 402.35 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55505645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).