N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C19H18ClN3O3 — CID 41048405

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-12(15-4-2-3-5-16(15)20)22-18(25)14-8-6-13(7-9-14)11-23-17(24)10-21-19(23)26/h2-9,12H,10-11H2,1H3,(H,21,26)(H,22,25)/t12-/m0/s1
InChIKeyDYGBJJBVRHSAFT-LBPRGKRZSA-N
MW371.82 g/mol
LogP2.88
Rot. Bonds5

About N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 41048405) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID41048405
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-12(15-4-2-3-5-16(15)20)22-18(25)14-8-6-13(7-9-14)11-23-17(24)10-21-19(23)26/h2-9,12H,10-11H2,1H3,(H,21,26)(H,22,25)/t12-/m0/s1
InChIKeyDYGBJJBVRHSAFT-LBPRGKRZSA-N
XLogP2.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 45351971
4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81375650
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 25496336
N-(3-chloro-2-methylphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34857655
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 46520082
3-[3-[1-(2-chlorophenyl)ethylamino]propyl]imidazolidine-2,4-dione
CID 56819750
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 46534600
4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide
CID 55758138
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999236
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 17485480

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 41048405) is N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is C[C@H](NC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is DYGBJJBVRHSAFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12(15-4-2-3-5-16(15)20)22-18(25)14-8-6-13(7-9-14)11-23-17(24)10-21-19(23)26/h2-9,12H,10-11H2,1H3,(H,21,26)(H,22,25)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 371.82 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 41048405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).