3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide

C19H19F4N3O — CID 52933548

IUPAC3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H19F4N3O/c20-17-8-7-15(11-16(17)19(21,22)23)24-18(27)26-10-4-9-25(13-26)12-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H,24,27)
InChIKeyZNFHPXNLYNSLBC-UHFFFAOYSA-N
MW381.37 g/mol
LogP4.54
Rot. Bonds3

About 3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide

3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide (PubChem CID 52933548) has the molecular formula C19H19F4N3O and a molecular weight of 381.37 g/mol. Its IUPAC name is 3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide
PubChem CID52933548
Molecular FormulaC19H19F4N3O
Molecular Weight381.37 g/mol
Exact Mass381.15
IUPAC Name3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H19F4N3O/c20-17-8-7-15(11-16(17)19(21,22)23)24-18(27)26-10-4-9-25(13-26)12-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H,24,27)
InChIKeyZNFHPXNLYNSLBC-UHFFFAOYSA-N
XLogP4.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide
CID 5043777
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
1-(1-benzylazetidin-3-yl)-1-ethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;hydrochloride
CID 67173732
4-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 3861882
4-benzyl-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide
CID 52934491
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
4-(cyclopropanecarbonyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 74246966
N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161006
3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide
CID 102437931
4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylic acid
CID 67359778
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 79156712
2-(azetidin-1-ylsulfinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 162557111

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide?
The IUPAC name of 3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide (CID 52933548) is 3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide?
The canonical SMILES for 3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide?
The InChIKey is ZNFHPXNLYNSLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O/c20-17-8-7-15(11-16(17)19(21,22)23)24-18(27)26-10-4-9-25(13-26)12-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H,24,27).
What are the key properties of 3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide?
3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide has a molecular weight of 381.37 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carboxamide is sourced from PubChem (CID 52933548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).