3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide

C20H22ClNO — CID 133189162

IUPAC3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccccc1Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H22ClNO/c1-14(17-10-9-15-6-4-7-18(15)13-17)22-20(23)12-11-16-5-2-3-8-19(16)21/h2-3,5,8-10,13-14H,4,6-7,11-12H2,1H3,(H,22,23)
InChIKeyIQKLSAAKRAOHHD-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.64
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide

3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide (PubChem CID 133189162) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide
PubChem CID133189162
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccccc1Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H22ClNO/c1-14(17-10-9-15-6-4-7-18(15)13-17)22-20(23)12-11-16-5-2-3-8-19(16)21/h2-3,5,8-10,13-14H,4,6-7,11-12H2,1H3,(H,22,23)
InChIKeyIQKLSAAKRAOHHD-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
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3-(ethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
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3-(1,3-benzodioxol-5-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide (CID 133189162) is 3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide is CC(NC(=O)CCc1ccccc1Cl)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide?
The InChIKey is IQKLSAAKRAOHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO/c1-14(17-10-9-15-6-4-7-18(15)13-17)22-20(23)12-11-16-5-2-3-8-19(16)21/h2-3,5,8-10,13-14H,4,6-7,11-12H2,1H3,(H,22,23).
What are the key properties of 3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide?
3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide has a molecular weight of 327.86 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]propanamide is sourced from PubChem (CID 133189162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).