(4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide

C18H17ClF4N4O2 — CID 167201479

IUPAC(4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)cc(N2C(O)NC[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C18H17ClF4N4O2/c1-9-5-10(18(21,22)23)6-15(25-9)27-14(8-24-17(27)29)16(28)26(2)11-3-4-13(20)12(19)7-11/h3-7,14,17,24,29H,8H2,1-2H3/t14-,17?/m0/s1
InChIKeyRDOBWKSXRKNZQS-MBIQTGHCSA-N
MW432.81 g/mol
LogP2.92
Rot. Bonds3

About (4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide

(4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide (PubChem CID 167201479) has the molecular formula C18H17ClF4N4O2 and a molecular weight of 432.81 g/mol. Its IUPAC name is (4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide
PubChem CID167201479
Molecular FormulaC18H17ClF4N4O2
Molecular Weight432.81 g/mol
Exact Mass432.10
IUPAC Name(4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)cc(N2C(O)NC[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C18H17ClF4N4O2/c1-9-5-10(18(21,22)23)6-15(25-9)27-14(8-24-17(27)29)16(28)26(2)11-3-4-13(20)12(19)7-11/h3-7,14,17,24,29H,8H2,1-2H3/t14-,17?/m0/s1
InChIKeyRDOBWKSXRKNZQS-MBIQTGHCSA-N
XLogP2.92
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.81
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide (CID 167201479) is (4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide is Cc1cc(C(F)(F)F)cc(N2C(O)NC[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of (4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide?
The InChIKey is RDOBWKSXRKNZQS-MBIQTGHCSA-N. The full InChI is InChI=1S/C18H17ClF4N4O2/c1-9-5-10(18(21,22)23)6-15(25-9)27-14(8-24-17(27)29)16(28)26(2)11-3-4-13(20)12(19)7-11/h3-7,14,17,24,29H,8H2,1-2H3/t14-,17?/m0/s1.
What are the key properties of (4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide?
(4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide has a molecular weight of 432.81 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide is sourced from PubChem (CID 167201479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).