2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide

C17H16ClNO2 — CID 156906362

IUPAC2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1COCc2ccccc21
InChIInChI=1S/C17H16ClNO2/c18-14-6-3-4-12(8-14)9-17(20)19-16-11-21-10-13-5-1-2-7-15(13)16/h1-8,16H,9-11H2,(H,19,20)
InChIKeySZIILMDJJNXTTF-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.27
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide

2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide (PubChem CID 156906362) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide
PubChem CID156906362
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1COCc2ccccc21
InChIInChI=1S/C17H16ClNO2/c18-14-6-3-4-12(8-14)9-17(20)19-16-11-21-10-13-5-1-2-7-15(13)16/h1-8,16H,9-11H2,(H,19,20)
InChIKeySZIILMDJJNXTTF-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9251398
N-(3,5-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148779
N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148757
N-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148772
2-(3-aminophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62499039
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
3-(3,4-dihydro-1H-isochromen-4-ylamino)propanamide
CID 107148972
2-(4-chloro-2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100671726
N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149374
N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 113274232
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
4-(3,4-dihydro-1H-isochromen-4-ylamino)butanoic acid
CID 107149158

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide (CID 156906362) is 2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide is O=C(Cc1cccc(Cl)c1)NC1COCc2ccccc21.
What is the InChIKey of 2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide?
The InChIKey is SZIILMDJJNXTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-14-6-3-4-12(8-14)9-17(20)19-16-11-21-10-13-5-1-2-7-15(13)16/h1-8,16H,9-11H2,(H,19,20).
What are the key properties of 2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide?
2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide has a molecular weight of 301.77 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-4-yl)acetamide is sourced from PubChem (CID 156906362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).