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

C19H21ClN2O — CID 18085963

IUPAC2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCC(NCC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O/c1-13(17-7-2-3-8-18(17)20)21-12-19(23)22-16-10-9-14-5-4-6-15(14)11-16/h2-3,7-11,13,21H,4-6,12H2,1H3,(H,22,23)
InChIKeyKQHUDZACRUDPKX-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.12
Rot. Bonds5

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

2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 18085963) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID18085963
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCC(NCC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O/c1-13(17-7-2-3-8-18(17)20)21-12-19(23)22-16-10-9-14-5-4-6-15(14)11-16/h2-3,7-11,13,21H,4-6,12H2,1H3,(H,22,23)
InChIKeyKQHUDZACRUDPKX-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 26012367
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9306767
N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 26006629
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9307246
2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 18085953
2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749
2-(benzhydrylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7516034
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8920009
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306824
(1R)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81377994
(1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81378308

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 18085963) is 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is CC(NCC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is KQHUDZACRUDPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13(17-7-2-3-8-18(17)20)21-12-19(23)22-16-10-9-14-5-4-6-15(14)11-16/h2-3,7-11,13,21H,4-6,12H2,1H3,(H,22,23).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 328.84 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 18085963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).