N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide

C17H20F3N3O2 — CID 139268573

IUPACN-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@@H](c2ccc(C(F)F)c(F)c2)C2CC2)N1
InChIInChI=1S/C17H20F3N3O2/c1-8-21-13(7-14(24)22-8)17(25)23-15(9-2-3-9)10-4-5-11(16(19)20)12(18)6-10/h4-6,8-9,13,15-16,21H,2-3,7H2,1H3,(H,22,24)(H,23,25)/t8?,13?,15-/m1/s1
InChIKeyWELHHNNMOYXMAQ-VYZQMCHSSA-N
MW355.36 g/mol
LogP2.15
Rot. Bonds5

About N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide

N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268573) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268573
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@@H](c2ccc(C(F)F)c(F)c2)C2CC2)N1
InChIInChI=1S/C17H20F3N3O2/c1-8-21-13(7-14(24)22-8)17(25)23-15(9-2-3-9)10-4-5-11(16(19)20)12(18)6-10/h4-6,8-9,13,15-16,21H,2-3,7H2,1H3,(H,22,24)(H,23,25)/t8?,13?,15-/m1/s1
InChIKeyWELHHNNMOYXMAQ-VYZQMCHSSA-N
XLogP2.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139267999
2-cyclopropyl-N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268141
N-[(1R)-1-[4-(3-fluorophenyl)phenyl]ethyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268249
2-methyl-6-oxo-N-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268244
2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268453
(2R)-N-[(R)-cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95283633
(2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide
CID 95342739
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588
N-[(1R)-1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
CID 139268473
(4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 97079177
(2S)-N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-5-oxopyrrolidine-2-carboxamide
CID 129398822
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015746

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (CID 139268573) is N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is CC1NC(=O)CC(C(=O)N[C@@H](c2ccc(C(F)F)c(F)c2)C2CC2)N1.
What is the InChIKey of N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is WELHHNNMOYXMAQ-VYZQMCHSSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-8-21-13(7-14(24)22-8)17(25)23-15(9-2-3-9)10-4-5-11(16(19)20)12(18)6-10/h4-6,8-9,13,15-16,21H,2-3,7H2,1H3,(H,22,24)(H,23,25)/t8?,13?,15-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-[4-(difluoromethyl)-3-fluorophenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).