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

C16H17ClF3N3O2 — CID 139268160

IUPACN-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccc(C(F)(F)F)cc2Cl)NC(C2CC2)N1
InChIInChI=1S/C16H17ClF3N3O2/c17-11-5-10(16(18,19)20)4-3-9(11)7-21-15(25)12-6-13(24)23-14(22-12)8-1-2-8/h3-5,8,12,14,22H,1-2,6-7H2,(H,21,25)(H,23,24)
InChIKeyDYAJRPFDQFEAHT-UHFFFAOYSA-N
MW375.78 g/mol
LogP2.19
Rot. Bonds4

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

N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268160) has the molecular formula C16H17ClF3N3O2 and a molecular weight of 375.78 g/mol. Its IUPAC name is N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268160
Molecular FormulaC16H17ClF3N3O2
Molecular Weight375.78 g/mol
Exact Mass375.10
IUPAC NameN-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccc(C(F)(F)F)cc2Cl)NC(C2CC2)N1
InChIInChI=1S/C16H17ClF3N3O2/c17-11-5-10(16(18,19)20)4-3-9(11)7-21-15(25)12-6-13(24)23-14(22-12)8-1-2-8/h3-5,8,12,14,22H,1-2,6-7H2,(H,21,25)(H,23,24)
InChIKeyDYAJRPFDQFEAHT-UHFFFAOYSA-N
XLogP2.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide (CID 139268160) is N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide is O=C1CC(C(=O)NCc2ccc(C(F)(F)F)cc2Cl)NC(C2CC2)N1.
What is the InChIKey of N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is DYAJRPFDQFEAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N3O2/c17-11-5-10(16(18,19)20)4-3-9(11)7-21-15(25)12-6-13(24)23-14(22-12)8-1-2-8/h3-5,8,12,14,22H,1-2,6-7H2,(H,21,25)(H,23,24).
What are the key properties of N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide?
N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 375.78 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).