N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide

C17H19F4N3O2 — CID 139267999

IUPACN-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)N1
InChIInChI=1S/C17H19F4N3O2/c1-8-22-13(7-14(25)23-8)16(26)24-15(9-2-3-9)10-4-5-11(12(18)6-10)17(19,20)21/h4-6,8-9,13,15,22H,2-3,7H2,1H3,(H,23,25)(H,24,26)/t8?,13?,15-/m1/s1
InChIKeyRFORVKYCQQIKCS-VYZQMCHSSA-N
MW373.35 g/mol
LogP2.24
Rot. Bonds4

About N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide

N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139267999) has the molecular formula C17H19F4N3O2 and a molecular weight of 373.35 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139267999
Molecular FormulaC17H19F4N3O2
Molecular Weight373.35 g/mol
Exact Mass373.14
IUPAC NameN-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)N1
InChIInChI=1S/C17H19F4N3O2/c1-8-22-13(7-14(25)23-8)16(26)24-15(9-2-3-9)10-4-5-11(12(18)6-10)17(19,20)21/h4-6,8-9,13,15,22H,2-3,7H2,1H3,(H,23,25)(H,24,26)/t8?,13?,15-/m1/s1
InChIKeyRFORVKYCQQIKCS-VYZQMCHSSA-N
XLogP2.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268141
N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268573
2-methyl-6-oxo-N-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268244
N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268195
N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268389
N-[cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-ethyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 137126182
N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268249
2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268162
N-[(1R)-1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
CID 139268473
2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268453
(2R,4R,5R)-N-[cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-(3-cyclopropylsulfonylbenzoyl)-4,5-dimethylpyrrolidine-2-carboxamide
CID 155013711
N-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268041

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (CID 139267999) is N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is CC1NC(=O)CC(C(=O)N[C@@H](c2ccc(C(F)(F)F)c(F)c2)C2CC2)N1.
What is the InChIKey of N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is RFORVKYCQQIKCS-VYZQMCHSSA-N. The full InChI is InChI=1S/C17H19F4N3O2/c1-8-22-13(7-14(25)23-8)16(26)24-15(9-2-3-9)10-4-5-11(12(18)6-10)17(19,20)21/h4-6,8-9,13,15,22H,2-3,7H2,1H3,(H,23,25)(H,24,26)/t8?,13?,15-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 373.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139267999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).