N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide

C19H18ClN3O3 — CID 110677225

IUPACN-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide
SMILESO=C(CCC1(c2ccccc2)NC(=O)NC1=O)NCc1ccccc1Cl
InChIInChI=1S/C19H18ClN3O3/c20-15-9-5-4-6-13(15)12-21-16(24)10-11-19(14-7-2-1-3-8-14)17(25)22-18(26)23-19/h1-9H,10-12H2,(H,21,24)(H2,22,23,25,26)
InChIKeyRBPUKQWGKGCHPH-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.47
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide

N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide (PubChem CID 110677225) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide
PubChem CID110677225
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide
SMILESO=C(CCC1(c2ccccc2)NC(=O)NC1=O)NCc1ccccc1Cl
InChIInChI=1S/C19H18ClN3O3/c20-15-9-5-4-6-13(15)12-21-16(24)10-11-19(14-7-2-1-3-8-14)17(25)22-18(26)23-19/h1-9H,10-12H2,(H,21,24)(H2,22,23,25,26)
InChIKeyRBPUKQWGKGCHPH-UHFFFAOYSA-N
XLogP2.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide
CID 110677217
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-[(2-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021465
N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 619799
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide (CID 110677225) is N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide is O=C(CCC1(c2ccccc2)NC(=O)NC1=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide?
The InChIKey is RBPUKQWGKGCHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-15-9-5-4-6-13(15)12-21-16(24)10-11-19(14-7-2-1-3-8-14)17(25)22-18(26)23-19/h1-9H,10-12H2,(H,21,24)(H2,22,23,25,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide?
N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide has a molecular weight of 371.82 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide is sourced from PubChem (CID 110677225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).