N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide

C15H10F2N2O4 — CID 87890470

IUPACN-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide
SMILESO=CN(C(=O)Nc1c(F)cccc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H10F2N2O4/c16-10-2-1-3-11(17)14(10)18-15(21)19(7-20)9-4-5-12-13(6-9)23-8-22-12/h1-7H,8H2,(H,18,21)
InChIKeyZXWNDVYDVQNWQR-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.89
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide

N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide (PubChem CID 87890470) has the molecular formula C15H10F2N2O4 and a molecular weight of 320.25 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide
PubChem CID87890470
Molecular FormulaC15H10F2N2O4
Molecular Weight320.25 g/mol
Exact Mass320.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide
SMILESO=CN(C(=O)Nc1c(F)cccc1F)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H10F2N2O4/c16-10-2-1-3-11(17)14(10)18-15(21)19(7-20)9-4-5-12-13(6-9)23-8-22-12/h1-7H,8H2,(H,18,21)
InChIKeyZXWNDVYDVQNWQR-UHFFFAOYSA-N
XLogP2.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylcarbamoyl)formamide
CID 87890859
N-(1,3-benzodioxol-5-yl)-N-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]formamide
CID 87890265
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
CID 22245951
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide
CID 22245929
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-iodophenyl)carbamoyl]formamide
CID 87843314
N-(1,3-benzodioxol-5-yl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956702
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide
CID 87843803
N-(1,3-benzodioxol-5-yl)-N-[(3-chloro-4-methoxyphenyl)carbamoyl]formamide
CID 87890643
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide
CID 108998808
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-ethynylphenyl)carbamoyl]formamide
CID 87843542
N-[(2,4-dichlorophenyl)carbamoyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)formamide
CID 87843944
2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101071

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide (CID 87890470) is N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide is O=CN(C(=O)Nc1c(F)cccc1F)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide?
The InChIKey is ZXWNDVYDVQNWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O4/c16-10-2-1-3-11(17)14(10)18-15(21)19(7-20)9-4-5-12-13(6-9)23-8-22-12/h1-7H,8H2,(H,18,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide?
N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide has a molecular weight of 320.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide is sourced from PubChem (CID 87890470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).