N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide

C16H14Cl2N2O — CID 126213434

IUPACN-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
SMILESO=C(CN1Cc2ccccc2C1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c17-13-5-14(18)7-15(6-13)19-16(21)10-20-8-11-3-1-2-4-12(11)9-20/h1-7H,8-10H2,(H,19,21)
InChIKeyUAGUOORHSQUEKU-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.95
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide

N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide (PubChem CID 126213434) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
PubChem CID126213434
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC NameN-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
SMILESO=C(CN1Cc2ccccc2C1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c17-13-5-14(18)7-15(6-13)19-16(21)10-20-8-11-3-1-2-4-12(11)9-20/h1-7H,8-10H2,(H,19,21)
InChIKeyUAGUOORHSQUEKU-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2345538
N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206390
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
N-(3,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
CID 110688645
N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 6468812
N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 2113839
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 131890366
N-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8897194
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
N-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 51170465
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
methyl (2R)-4-(3,5-dichloroanilino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoate
CID 1266317

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide (CID 126213434) is N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide is O=C(CN1Cc2ccccc2C1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
The InChIKey is UAGUOORHSQUEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-13-5-14(18)7-15(6-13)19-16(21)10-20-8-11-3-1-2-4-12(11)9-20/h1-7H,8-10H2,(H,19,21).
What are the key properties of N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide has a molecular weight of 321.21 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide is sourced from PubChem (CID 126213434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).