N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide

C16H11F3N2O4 — CID 22245929

IUPACN-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide
SMILESO=CN(C(=O)Nc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O4/c17-16(18,19)10-1-4-12(5-2-10)21(8-22)15(23)20-11-3-6-13-14(7-11)25-9-24-13/h1-8H,9H2,(H,20,23)
InChIKeyDDWLSXVSRXOSDP-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.63
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide

N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide (PubChem CID 22245929) has the molecular formula C16H11F3N2O4 and a molecular weight of 352.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide
PubChem CID22245929
Molecular FormulaC16H11F3N2O4
Molecular Weight352.27 g/mol
Exact Mass352.07
IUPAC NameN-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide
SMILESO=CN(C(=O)Nc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O4/c17-16(18,19)10-1-4-12(5-2-10)21(8-22)15(23)20-11-3-6-13-14(7-11)25-9-24-13/h1-8H,9H2,(H,20,23)
InChIKeyDDWLSXVSRXOSDP-UHFFFAOYSA-N
XLogP3.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.63
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-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
CID 22245951
N-(1,3-benzodioxol-5-yl)-N-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]formamide
CID 87890265
N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine
CID 171115396
1-N-(1,3-benzodioxol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143748
N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide
CID 87890809
N-(1,3-benzodioxol-5-yl)-N-[(3-chloro-4-methoxyphenyl)carbamoyl]formamide
CID 87890643
2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110860892
N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide
CID 87890470
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[2,6-di(propan-2-yl)phenyl]formamide
CID 22245855
1,3-bis(1,3-benzodioxol-5-yl)-1-methylurea
CID 167788947
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-(5-iodo-2-methylphenyl)formamide
CID 22245940

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide (CID 22245929) is N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide is O=CN(C(=O)Nc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide?
The InChIKey is DDWLSXVSRXOSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O4/c17-16(18,19)10-1-4-12(5-2-10)21(8-22)15(23)20-11-3-6-13-14(7-11)25-9-24-13/h1-8H,9H2,(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide?
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide has a molecular weight of 352.27 g/mol, XLogP of 3.63, 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-ylcarbamoyl)-N-[4-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 22245929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).