2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide

C17H13F6N3O2 — CID 41474710

IUPAC2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNC(=O)NCc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F6N3O2/c18-11-4-5-12(15(20)14(11)19)26-13(27)8-25-16(28)24-7-9-2-1-3-10(6-9)17(21,22)23/h1-6H,7-8H2,(H,26,27)(H2,24,25,28)
InChIKeyFJVLGMXAUQDLRW-UHFFFAOYSA-N
MW405.30 g/mol
LogP3.56
Rot. Bonds5

About 2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 41474710) has the molecular formula C17H13F6N3O2 and a molecular weight of 405.30 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID41474710
Molecular FormulaC17H13F6N3O2
Molecular Weight405.30 g/mol
Exact Mass405.09
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNC(=O)NCc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F6N3O2/c18-11-4-5-12(15(20)14(11)19)26-13(27)8-25-16(28)24-7-9-2-1-3-10(6-9)17(21,22)23/h1-6H,7-8H2,(H,26,27)(H2,24,25,28)
InChIKeyFJVLGMXAUQDLRW-UHFFFAOYSA-N
XLogP3.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 46494014
1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 108892644
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 46633419
1-(4-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 4531191
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoic acid
CID 62671146
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 86993073
2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 41468828
2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 69011759
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanediamide
CID 36505459
1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 4678007

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 41474710) is 2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(CNC(=O)NCc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is FJVLGMXAUQDLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N3O2/c18-11-4-5-12(15(20)14(11)19)26-13(27)8-25-16(28)24-7-9-2-1-3-10(6-9)17(21,22)23/h1-6H,7-8H2,(H,26,27)(H2,24,25,28).
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 405.30 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 41474710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).