N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide

C17H19ClF3N3O2 — CID 139268164

IUPACN-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)NC(C2CC2)N1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H19ClF3N3O2/c1-8(11-5-4-10(6-12(11)18)17(19,20)21)22-16(26)13-7-14(25)24-15(23-13)9-2-3-9/h4-6,8-9,13,15,23H,2-3,7H2,1H3,(H,22,26)(H,24,25)
InChIKeyPKNLBNVAHLRMRN-UHFFFAOYSA-N
MW389.81 g/mol
LogP2.75
Rot. Bonds4

About N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide

N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268164) has the molecular formula C17H19ClF3N3O2 and a molecular weight of 389.81 g/mol. Its IUPAC name is N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268164
Molecular FormulaC17H19ClF3N3O2
Molecular Weight389.81 g/mol
Exact Mass389.11
IUPAC NameN-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)NC(C2CC2)N1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H19ClF3N3O2/c1-8(11-5-4-10(6-12(11)18)17(19,20)21)22-16(26)13-7-14(25)24-15(23-13)9-2-3-9/h4-6,8-9,13,15,23H,2-3,7H2,1H3,(H,22,26)(H,24,25)
InChIKeyPKNLBNVAHLRMRN-UHFFFAOYSA-N
XLogP2.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-N-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268150
2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268124
2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268162
2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139267941
2-methyl-6-oxo-N-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268244
2-cyclopropyl-N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268141
N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268559
N-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268041
N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268562
N-[(1R)-1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
CID 139268473
N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide
CID 154659574
N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433640

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide (CID 139268164) is N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide is CC(NC(=O)C1CC(=O)NC(C2CC2)N1)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is PKNLBNVAHLRMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3N3O2/c1-8(11-5-4-10(6-12(11)18)17(19,20)21)22-16(26)13-7-14(25)24-15(23-13)9-2-3-9/h4-6,8-9,13,15,23H,2-3,7H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide?
N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 389.81 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).