2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide

C15H17ClN4O4 — CID 97128970

IUPAC2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide
SMILESO=C(CC[C@H]1NC(=O)NC1=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O4/c16-10-4-2-1-3-9(10)13(22)18-8-7-17-12(21)6-5-11-14(23)20-15(24)19-11/h1-4,11H,5-8H2,(H,17,21)(H,18,22)(H2,19,20,23,24)/t11-/m1/s1
InChIKeyYQDJHGNQLLBYEC-LLVKDONJSA-N
MW352.78 g/mol
LogP0.17
Rot. Bonds7

About 2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide

2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide (PubChem CID 97128970) has the molecular formula C15H17ClN4O4 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide
PubChem CID97128970
Molecular FormulaC15H17ClN4O4
Molecular Weight352.78 g/mol
Exact Mass352.09
IUPAC Name2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide
SMILESO=C(CC[C@H]1NC(=O)NC1=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O4/c16-10-4-2-1-3-9(10)13(22)18-8-7-17-12(21)6-5-11-14(23)20-15(24)19-11/h1-4,11H,5-8H2,(H,17,21)(H,18,22)(H2,19,20,23,24)/t11-/m1/s1
InChIKeyYQDJHGNQLLBYEC-LLVKDONJSA-N
XLogP0.17
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide
CID 94646293
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide
CID 39969885
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 131930236
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 75511825
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 70723639
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110722163
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 70720397
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
CID 70780601
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
CID 70737699
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide (CID 97128970) is 2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide is O=C(CC[C@H]1NC(=O)NC1=O)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide?
The InChIKey is YQDJHGNQLLBYEC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17ClN4O4/c16-10-4-2-1-3-9(10)13(22)18-8-7-17-12(21)6-5-11-14(23)20-15(24)19-11/h1-4,11H,5-8H2,(H,17,21)(H,18,22)(H2,19,20,23,24)/t11-/m1/s1.
What are the key properties of 2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide?
2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide has a molecular weight of 352.78 g/mol, XLogP of 0.17, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide is sourced from PubChem (CID 97128970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).