N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide

C18H16ClF3N4O2 — CID 25097733

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide
SMILESCN1C(=O)N(c2cccnc2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C18H16ClF3N4O2/c1-25-14(10-26(17(25)28)12-5-3-7-23-9-12)16(27)24-8-11-4-2-6-13(15(11)19)18(20,21)22/h2-7,9,14H,8,10H2,1H3,(H,24,27)
InChIKeyHTZATOHLFYBUCX-UHFFFAOYSA-N
MW412.80 g/mol
LogP3.31
Rot. Bonds4

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide (PubChem CID 25097733) has the molecular formula C18H16ClF3N4O2 and a molecular weight of 412.80 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide
PubChem CID25097733
Molecular FormulaC18H16ClF3N4O2
Molecular Weight412.80 g/mol
Exact Mass412.09
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide
SMILESCN1C(=O)N(c2cccnc2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C18H16ClF3N4O2/c1-25-14(10-26(17(25)28)12-5-3-7-23-9-12)16(27)24-8-11-4-2-6-13(15(11)19)18(20,21)22/h2-7,9,14H,8,10H2,1H3,(H,24,27)
InChIKeyHTZATOHLFYBUCX-UHFFFAOYSA-N
XLogP3.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide (CID 25097733) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide is CN1C(=O)N(c2cccnc2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide?
The InChIKey is HTZATOHLFYBUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N4O2/c1-25-14(10-26(17(25)28)12-5-3-7-23-9-12)16(27)24-8-11-4-2-6-13(15(11)19)18(20,21)22/h2-7,9,14H,8,10H2,1H3,(H,24,27).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide has a molecular weight of 412.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyridin-3-ylimidazolidine-4-carboxamide is sourced from PubChem (CID 25097733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).