(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide

C14H17ClFN3O2 — CID 71463297

IUPAC(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCCN1C(=O)N(C)C[C@H]1C(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFN3O2/c1-3-19-12(8-18(2)14(19)21)13(20)17-7-9-4-5-10(16)6-11(9)15/h4-6,12H,3,7-8H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyXOWLJNZDZMDUKT-LBPRGKRZSA-N
MW313.76 g/mol
LogP1.85
Rot. Bonds4

About (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71463297) has the molecular formula C14H17ClFN3O2 and a molecular weight of 313.76 g/mol. Its IUPAC name is (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71463297
Molecular FormulaC14H17ClFN3O2
Molecular Weight313.76 g/mol
Exact Mass313.10
IUPAC Name(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCCN1C(=O)N(C)C[C@H]1C(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFN3O2/c1-3-19-12(8-18(2)14(19)21)13(20)17-7-9-4-5-10(16)6-11(9)15/h4-6,12H,3,7-8H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyXOWLJNZDZMDUKT-LBPRGKRZSA-N
XLogP1.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide with MolForge

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Related Compounds

Gsk-1482160
CID 23649427
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CID 2726677
N-cyclopentyl-2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
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CID 4205522
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide (CID 71463297) is (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide is CCN1C(=O)N(C)C[C@H]1C(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is XOWLJNZDZMDUKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17ClFN3O2/c1-3-19-12(8-18(2)14(19)21)13(20)17-7-9-4-5-10(16)6-11(9)15/h4-6,12H,3,7-8H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 313.76 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71463297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).