N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide

C22H18N2O4 — CID 87843803

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide
SMILESO=CN(C(=O)Nc1cccc(-c2ccccc2)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H18N2O4/c25-15-24(19-9-10-20-21(14-19)28-12-11-27-20)22(26)23-18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-10,13-15H,11-12H2,(H,23,26)
InChIKeyICVKBIWTLLIJOT-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.32
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide (PubChem CID 87843803) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide
PubChem CID87843803
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide
SMILESO=CN(C(=O)Nc1cccc(-c2ccccc2)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H18N2O4/c25-15-24(19-9-10-20-21(14-19)28-12-11-27-20)22(26)23-18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-10,13-15H,11-12H2,(H,23,26)
InChIKeyICVKBIWTLLIJOT-UHFFFAOYSA-N
XLogP4.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.32
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-iodophenyl)carbamoyl]formamide
CID 87843314
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-ethynylphenyl)carbamoyl]formamide
CID 87843542
N-(3-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)formamide
CID 22647661
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]formamide
CID 87843493
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-N-(2-iodophenyl)formamide
CID 22647651
N-[(2,4-dichlorophenyl)carbamoyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)formamide
CID 87843944
N-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide
CID 141055631
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-iodo-2-methylphenyl)carbamoyl]formamide
CID 87844318
N-(1,3-benzodioxol-5-yl)-N-[(3-chloro-4-methoxyphenyl)carbamoyl]formamide
CID 87890643
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide
CID 22245929

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide (CID 87843803) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide is O=CN(C(=O)Nc1cccc(-c2ccccc2)c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide?
The InChIKey is ICVKBIWTLLIJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-15-24(19-9-10-20-21(14-19)28-12-11-27-20)22(26)23-18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-10,13-15H,11-12H2,(H,23,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide has a molecular weight of 374.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide is sourced from PubChem (CID 87843803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).