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

C13H15ClFN3O2 — CID 71463306

IUPAC(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2ccc(F)cc2Cl)N(C)C1=O
InChIInChI=1S/C13H15ClFN3O2/c1-17-7-11(18(2)13(17)20)12(19)16-6-8-3-4-9(15)5-10(8)14/h3-5,11H,6-7H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyUJMDQONHJGKMOO-NSHDSACASA-N
MW299.73 g/mol
LogP1.46
Rot. Bonds3

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

(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71463306) has the molecular formula C13H15ClFN3O2 and a molecular weight of 299.73 g/mol. Its IUPAC name is (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71463306
Molecular FormulaC13H15ClFN3O2
Molecular Weight299.73 g/mol
Exact Mass299.08
IUPAC Name(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2ccc(F)cc2Cl)N(C)C1=O
InChIInChI=1S/C13H15ClFN3O2/c1-17-7-11(18(2)13(17)20)12(19)16-6-8-3-4-9(15)5-10(8)14/h3-5,11H,6-7H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyUJMDQONHJGKMOO-NSHDSACASA-N
XLogP1.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2,6-dimethyl-3-pyridinyl)-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 71459840
N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 25096712
N-[[2-(aminomethyl)-4-chlorophenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 151232699
(4S)-N-[(2,4-dichloro-6-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71457940
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide
CID 71461565
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylthiazinane-3-carboxamide
CID 91240604
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 20968164
N-[(2-chloro-4-fluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72939363
N-[(2-chloro-4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 3236011
1,3-dimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 145485157
N-[(2,4-dichlorophenyl)methyl]-1-(2,6-dimethyl-3-pyridinyl)-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 25094619
(3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide
CID 97116009

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (CID 71463306) is (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is CN1C[C@@H](C(=O)NCc2ccc(F)cc2Cl)N(C)C1=O.
What is the InChIKey of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is UJMDQONHJGKMOO-NSHDSACASA-N. The full InChI is InChI=1S/C13H15ClFN3O2/c1-17-7-11(18(2)13(17)20)12(19)16-6-8-3-4-9(15)5-10(8)14/h3-5,11H,6-7H2,1-2H3,(H,16,19)/t11-/m0/s1.
What are the key properties of (4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 299.73 g/mol, XLogP of 1.46, 3 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]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71463306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).