N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C21H21ClN2O3 — CID 17467880

IUPACN-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCCC(NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O3/c1-2-18(15-7-9-17(22)10-8-15)23-21(27)16-5-3-14(4-6-16)13-24-19(25)11-12-20(24)26/h3-10,18H,2,11-13H2,1H3,(H,23,27)
InChIKeyACAQQPHVLOOPLQ-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.87
Rot. Bonds6

About N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 17467880) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID17467880
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCCC(NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O3/c1-2-18(15-7-9-17(22)10-8-15)23-21(27)16-5-3-14(4-6-16)13-24-19(25)11-12-20(24)26/h3-10,18H,2,11-13H2,1H3,(H,23,27)
InChIKeyACAQQPHVLOOPLQ-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
4-[(2S)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 94016146
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 26008402
4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide
CID 46771532
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide
CID 24552366
N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 52522157
N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide
CID 166266588
N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide
CID 41490385
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
2-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119188265
N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 16602955

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 17467880) is N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is CCC(NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is ACAQQPHVLOOPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-2-18(15-7-9-17(22)10-8-15)23-21(27)16-5-3-14(4-6-16)13-24-19(25)11-12-20(24)26/h3-10,18H,2,11-13H2,1H3,(H,23,27).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 384.86 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 17467880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).