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

C16H10F4N2O4 — CID 22245951

IUPACN-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
SMILESO=CN(C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C16H10F4N2O4/c17-12-3-2-10(6-11(12)16(18,19)20)22(7-23)15(24)21-9-1-4-13-14(5-9)26-8-25-13/h1-7H,8H2,(H,21,24)
InChIKeyCSSLKUVSTAUJIS-UHFFFAOYSA-N
MW370.26 g/mol
LogP3.77
Rot. Bonds3

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

N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide (PubChem CID 22245951) has the molecular formula C16H10F4N2O4 and a molecular weight of 370.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
PubChem CID22245951
Molecular FormulaC16H10F4N2O4
Molecular Weight370.26 g/mol
Exact Mass370.06
IUPAC NameN-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
SMILESO=CN(C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C16H10F4N2O4/c17-12-3-2-10(6-11(12)16(18,19)20)22(7-23)15(24)21-9-1-4-13-14(5-9)26-8-25-13/h1-7H,8H2,(H,21,24)
InChIKeyCSSLKUVSTAUJIS-UHFFFAOYSA-N
XLogP3.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.77
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-(trifluoromethyl)phenyl]formamide
CID 22245929
N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
CID 22245917
N-(1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)carbamoyl]formamide
CID 87890470
N-(1,3-benzodioxol-5-yl)-N-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]formamide
CID 87890265
N-(1,3-benzodioxol-5-yl)-N-[(3-chloro-4-methoxyphenyl)carbamoyl]formamide
CID 87890643
1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea
CID 6468432
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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-iodophenyl)carbamoyl]formamide
CID 87843314
N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide
CID 141055660

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide (CID 22245951) is N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide is O=CN(C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide?
The InChIKey is CSSLKUVSTAUJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O4/c17-12-3-2-10(6-11(12)16(18,19)20)22(7-23)15(24)21-9-1-4-13-14(5-9)26-8-25-13/h1-7H,8H2,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide?
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide has a molecular weight of 370.26 g/mol, XLogP of 3.77, 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-fluoro-3-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 22245951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).