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

C16H17ClF3N3O2 — CID 139268559

IUPACN-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)NC2(c3ccc(C(F)(F)F)cc3Cl)CC2)N1
InChIInChI=1S/C16H17ClF3N3O2/c1-8-21-12(7-13(24)22-8)14(25)23-15(4-5-15)10-3-2-9(6-11(10)17)16(18,19)20/h2-3,6,8,12,21H,4-5,7H2,1H3,(H,22,24)(H,23,25)
InChIKeyKHUQTDDDTVHDEN-UHFFFAOYSA-N
MW375.78 g/mol
LogP2.29
Rot. Bonds3

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

N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268559) has the molecular formula C16H17ClF3N3O2 and a molecular weight of 375.78 g/mol. Its IUPAC name is N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268559
Molecular FormulaC16H17ClF3N3O2
Molecular Weight375.78 g/mol
Exact Mass375.10
IUPAC NameN-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)NC2(c3ccc(C(F)(F)F)cc3Cl)CC2)N1
InChIInChI=1S/C16H17ClF3N3O2/c1-8-21-12(7-13(24)22-8)14(25)23-15(4-5-15)10-3-2-9(6-11(10)17)16(18,19)20/h2-3,6,8,12,21H,4-5,7H2,1H3,(H,22,24)(H,23,25)
InChIKeyKHUQTDDDTVHDEN-UHFFFAOYSA-N
XLogP2.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268562
N-[1-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-oxopyrrolidine-3-carboxamide
CID 119039617
2-methyl-6-oxo-N-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268244
6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide
CID 139268215
N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268164
N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268498
N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
CID 139268076
N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139267999
N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268007
6-[3-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-1,2,4-triazol-5-yl]-2-methyl-1,3-diazinan-4-one
CID 146676798
2-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268453
N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441688

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (CID 139268559) is N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is CC1NC(=O)CC(C(=O)NC2(c3ccc(C(F)(F)F)cc3Cl)CC2)N1.
What is the InChIKey of N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is KHUQTDDDTVHDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N3O2/c1-8-21-12(7-13(24)22-8)14(25)23-15(4-5-15)10-3-2-9(6-11(10)17)16(18,19)20/h2-3,6,8,12,21H,4-5,7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 375.78 g/mol, XLogP of 2.29, 3 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]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).