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

C14H15ClN4O2 — CID 71452621

IUPAC(4S)-N-[(2-chloro-4-cyanophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2ccc(C#N)cc2Cl)N(C)C1=O
InChIInChI=1S/C14H15ClN4O2/c1-18-8-12(19(2)14(18)21)13(20)17-7-10-4-3-9(6-16)5-11(10)15/h3-5,12H,7-8H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyYIPULZSWVGXXEY-LBPRGKRZSA-N
MW306.75 g/mol
LogP1.19
Rot. Bonds3

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

(4S)-N-[(2-chloro-4-cyanophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71452621) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is (4S)-N-[(2-chloro-4-cyanophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2-chloro-4-cyanophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71452621
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name(4S)-N-[(2-chloro-4-cyanophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2ccc(C#N)cc2Cl)N(C)C1=O
InChIInChI=1S/C14H15ClN4O2/c1-18-8-12(19(2)14(18)21)13(20)17-7-10-4-3-9(6-16)5-11(10)15/h3-5,12H,7-8H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyYIPULZSWVGXXEY-LBPRGKRZSA-N
XLogP1.19
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52944502
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 50898450
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 3240085
N-{2-[benzyl(methyl)amino]ethyl}-2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 3241689
(4S)-N-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52943044
(4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52943045
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 52944504
(4S)-N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 52947925
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 71450788
(4S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71461566
(4S)-1,3-dimethyl-2-oxo-N-[(2,4,6-trichlorophenyl)methyl]imidazolidine-4-carboxamide
CID 71463315
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 24970122

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2-chloro-4-cyanophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2-chloro-4-cyanophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (CID 71452621) is (4S)-N-[(2-chloro-4-cyanophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2-chloro-4-cyanophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2-chloro-4-cyanophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is CN1C[C@@H](C(=O)NCc2ccc(C#N)cc2Cl)N(C)C1=O.
What is the InChIKey of (4S)-N-[(2-chloro-4-cyanophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is YIPULZSWVGXXEY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-18-8-12(19(2)14(18)21)13(20)17-7-10-4-3-9(6-16)5-11(10)15/h3-5,12H,7-8H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (4S)-N-[(2-chloro-4-cyanophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(2-chloro-4-cyanophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2-chloro-4-cyanophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71452621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).