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

C16H16ClN3O — CID 62206390

IUPACN-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
SMILESNc1ccc(Cl)cc1NC(=O)CN1Cc2ccccc2C1
InChIInChI=1S/C16H16ClN3O/c17-13-5-6-14(18)15(7-13)19-16(21)10-20-8-11-3-1-2-4-12(11)9-20/h1-7H,8-10,18H2,(H,19,21)
InChIKeyNHEVBLIOTCUOGU-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.88
Rot. Bonds3

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

N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide (PubChem CID 62206390) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
PubChem CID62206390
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
SMILESNc1ccc(Cl)cc1NC(=O)CN1Cc2ccccc2C1
InChIInChI=1S/C16H16ClN3O/c17-13-5-6-14(18)15(7-13)19-16(21)10-20-8-11-3-1-2-4-12(11)9-20/h1-7H,8-10,18H2,(H,19,21)
InChIKeyNHEVBLIOTCUOGU-UHFFFAOYSA-N
XLogP2.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16793337
N-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 51170465
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 43584981
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505319
N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
CID 62987910
N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 126213434
N-(2-amino-5-chlorophenyl)-2-phenylacetamide
CID 18071244
N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 112624444
N-(2-amino-5-chlorophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetamide
CID 63013345
N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206392
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide (CID 62206390) is N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide is Nc1ccc(Cl)cc1NC(=O)CN1Cc2ccccc2C1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
The InChIKey is NHEVBLIOTCUOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-13-5-6-14(18)15(7-13)19-16(21)10-20-8-11-3-1-2-4-12(11)9-20/h1-7H,8-10,18H2,(H,19,21).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide has a molecular weight of 301.78 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide is sourced from PubChem (CID 62206390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).