N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide

C22H23ClF4N4O2 — CID 165157795

IUPACN-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)cc(N2C(=O)C(CN(C)C)CC2C(=O)N(C)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C22H23ClF4N4O2/c1-12-7-14(22(25,26)27)9-19(28-12)31-18(8-13(20(31)32)11-29(2)3)21(33)30(4)15-5-6-17(24)16(23)10-15/h5-7,9-10,13,18H,8,11H2,1-4H3
InChIKeyKRAUWMGRFWZENE-UHFFFAOYSA-N
MW486.90 g/mol
LogP4.15
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide

N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 165157795) has the molecular formula C22H23ClF4N4O2 and a molecular weight of 486.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID165157795
Molecular FormulaC22H23ClF4N4O2
Molecular Weight486.90 g/mol
Exact Mass486.14
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)cc(N2C(=O)C(CN(C)C)CC2C(=O)N(C)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C22H23ClF4N4O2/c1-12-7-14(22(25,26)27)9-19(28-12)31-18(8-13(20(31)32)11-29(2)3)21(33)30(4)15-5-6-17(24)16(23)10-15/h5-7,9-10,13,18H,8,11H2,1-4H3
InChIKeyKRAUWMGRFWZENE-UHFFFAOYSA-N
XLogP4.15
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.90
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide (CID 165157795) is N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide is Cc1cc(C(F)(F)F)cc(N2C(=O)C(CN(C)C)CC2C(=O)N(C)c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KRAUWMGRFWZENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF4N4O2/c1-12-7-14(22(25,26)27)9-19(28-12)31-18(8-13(20(31)32)11-29(2)3)21(33)30(4)15-5-6-17(24)16(23)10-15/h5-7,9-10,13,18H,8,11H2,1-4H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 486.90 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 165157795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).