(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide

C17H14ClF4N5O2 — CID 71457930

IUPAC(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide
SMILESCN1C(=O)N(c2nccc(C(F)(F)F)n2)C[C@H]1C(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C17H14ClF4N5O2/c1-26-12(14(28)24-7-9-2-3-10(19)6-11(9)18)8-27(16(26)29)15-23-5-4-13(25-15)17(20,21)22/h2-6,12H,7-8H2,1H3,(H,24,28)/t12-/m0/s1
InChIKeyGHCYPAGNANSAFX-LBPRGKRZSA-N
MW431.78 g/mol
LogP2.84
Rot. Bonds4

About (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide

(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide (PubChem CID 71457930) has the molecular formula C17H14ClF4N5O2 and a molecular weight of 431.78 g/mol. Its IUPAC name is (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide
PubChem CID71457930
Molecular FormulaC17H14ClF4N5O2
Molecular Weight431.78 g/mol
Exact Mass431.08
IUPAC Name(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide
SMILESCN1C(=O)N(c2nccc(C(F)(F)F)n2)C[C@H]1C(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C17H14ClF4N5O2/c1-26-12(14(28)24-7-9-2-3-10(19)6-11(9)18)8-27(16(26)29)15-23-5-4-13(25-15)17(20,21)22/h2-6,12H,7-8H2,1H3,(H,24,28)/t12-/m0/s1
InChIKeyGHCYPAGNANSAFX-LBPRGKRZSA-N
XLogP2.84
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.78
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide (CID 71457930) is (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide is CN1C(=O)N(c2nccc(C(F)(F)F)n2)C[C@H]1C(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide?
The InChIKey is GHCYPAGNANSAFX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H14ClF4N5O2/c1-26-12(14(28)24-7-9-2-3-10(19)6-11(9)18)8-27(16(26)29)15-23-5-4-13(25-15)17(20,21)22/h2-6,12H,7-8H2,1H3,(H,24,28)/t12-/m0/s1.
What are the key properties of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide?
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide has a molecular weight of 431.78 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide is sourced from PubChem (CID 71457930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).