N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C18H15ClN2O3 — CID 3579153

IUPACN-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O3/c19-13-7-5-12(6-8-13)11-20-16(22)9-10-21-17(23)14-3-1-2-4-15(14)18(21)24/h1-8H,9-11H2,(H,20,22)
InChIKeyWJYDGFGYUKLCTR-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.64
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 3579153) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID3579153
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O3/c19-13-7-5-12(6-8-13)11-20-16(22)9-10-21-17(23)14-3-1-2-4-15(14)18(21)24/h1-8H,9-11H2,(H,20,22)
InChIKeyWJYDGFGYUKLCTR-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.64
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-phenethylbenzamide
CID 306479
A-2545
CID 185295
6-Chloro-2,3-dihydro-1H-isoindol-1-one
CID 12496475
Benzamide derivative 11
CID 41306362
N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide
CID 2379578
N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2097228
N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3990198
4-chloro-N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 9534854
1-[4-[(4-Chlorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 16323002
N-cyclohexyl-7-(1,3-dioxoisoindol-2-yl)heptanamide
CID 3148604
N-(3-amino-3-oxopropyl)-4-chlorobenzamide
CID 2556174
4'-Chloro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 9866745

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 3579153) is N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is WJYDGFGYUKLCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-13-7-5-12(6-8-13)11-20-16(22)9-10-21-17(23)14-3-1-2-4-15(14)18(21)24/h1-8H,9-11H2,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 342.78 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 3579153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).