N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide

C20H21FN2O2 — CID 56787217

IUPACN-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCCCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C20H21FN2O2/c21-18-8-3-5-15(11-18)12-19(24)22-10-4-9-20(25)23-13-16-6-1-2-7-17(16)14-23/h1-3,5-8,11H,4,9-10,12-14H2,(H,22,24)
InChIKeyHTDHNCSYBRUXIM-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.81
Rot. Bonds6

About N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide

N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide (PubChem CID 56787217) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide
PubChem CID56787217
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCCCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C20H21FN2O2/c21-18-8-3-5-15(11-18)12-19(24)22-10-4-9-20(25)23-13-16-6-1-2-7-17(16)14-23/h1-3,5-8,11H,4,9-10,12-14H2,(H,22,24)
InChIKeyHTDHNCSYBRUXIM-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine
CID 111559094
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 38554479
2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide
CID 108924377
2-(cyclopropylmethylamino)-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]acetamide;hydrochloride
CID 119783983
2-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 51165336
1-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111559159
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-fluoroanilino)propan-1-one
CID 109024492
1-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111558711
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide (CID 56787217) is N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)NCCCC(=O)N1Cc2ccccc2C1.
What is the InChIKey of N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is HTDHNCSYBRUXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-18-8-3-5-15(11-18)12-19(24)22-10-4-9-20(25)23-13-16-6-1-2-7-17(16)14-23/h1-3,5-8,11H,4,9-10,12-14H2,(H,22,24).
What are the key properties of N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide?
N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 340.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 56787217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).