5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide

C20H18ClN5O5 — CID 2570395

IUPAC5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
SMILESC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)C1=O
InChIInChI=1S/C20H18ClN5O5/c1-20(12-2-4-13(21)5-3-12)18(30)26(19(31)25-20)9-15(27)24-14-7-10(16(22)28)6-11(8-14)17(23)29/h2-8H,9H2,1H3,(H2,22,28)(H2,23,29)(H,24,27)(H,25,31)/t20-/m0/s1
InChIKeyQXMAMXKZLUUWGW-FQEVSTJZSA-N
MW443.85 g/mol
LogP0.94
Rot. Bonds6

About 5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide

5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide (PubChem CID 2570395) has the molecular formula C20H18ClN5O5 and a molecular weight of 443.85 g/mol. Its IUPAC name is 5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
PubChem CID2570395
Molecular FormulaC20H18ClN5O5
Molecular Weight443.85 g/mol
Exact Mass443.10
IUPAC Name5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
SMILESC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)C1=O
InChIInChI=1S/C20H18ClN5O5/c1-20(12-2-4-13(21)5-3-12)18(30)26(19(31)25-20)9-15(27)24-14-7-10(16(22)28)6-11(8-14)17(23)29/h2-8H,9H2,1H3,(H2,22,28)(H2,23,29)(H,24,27)(H,25,31)/t20-/m0/s1
InChIKeyQXMAMXKZLUUWGW-FQEVSTJZSA-N
XLogP0.94
TPSA164.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.85
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2491833
N-(3,5-dichlorophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7178689
N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2691171
4-[[2-[(4S)-4-(4-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 40810147
5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
CID 24572395
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 40811632
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 41167125
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 7240396
N-(4-butan-2-ylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3501889
N-(5-chloro-2-cyanophenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4537106
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 42964194
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46638763

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide (CID 2570395) is 5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide is C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)C1=O.
What is the InChIKey of 5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide?
The InChIKey is QXMAMXKZLUUWGW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18ClN5O5/c1-20(12-2-4-13(21)5-3-12)18(30)26(19(31)25-20)9-15(27)24-14-7-10(16(22)28)6-11(8-14)17(23)29/h2-8H,9H2,1H3,(H2,22,28)(H2,23,29)(H,24,27)(H,25,31)/t20-/m0/s1.
What are the key properties of 5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide?
5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide has a molecular weight of 443.85 g/mol, XLogP of 0.94, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 2570395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).