N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide

C20H29ClN2O2 — CID 56552307

IUPACN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C20H29ClN2O2/c1-3-12-23(13-4-2)20(25)7-5-6-19(24)22-18-11-8-15-14-16(21)9-10-17(15)18/h9-10,14,18H,3-8,11-13H2,1-2H3,(H,22,24)
InChIKeyGCZRHNHHJZXORW-UHFFFAOYSA-N
MW364.92 g/mol
LogP4.26
Rot. Bonds9

About N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide (PubChem CID 56552307) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide
PubChem CID56552307
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C20H29ClN2O2/c1-3-12-23(13-4-2)20(25)7-5-6-19(24)22-18-11-8-15-14-16(21)9-10-17(15)18/h9-10,14,18H,3-8,11-13H2,1-2H3,(H,22,24)
InChIKeyGCZRHNHHJZXORW-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-propylurea
CID 110904145
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
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2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
N-[2-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide
CID 138037756
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
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N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
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N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
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5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975
(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119744300
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride
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N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide (CID 56552307) is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NC1CCc2cc(Cl)ccc21.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide?
The InChIKey is GCZRHNHHJZXORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-3-12-23(13-4-2)20(25)7-5-6-19(24)22-18-11-8-15-14-16(21)9-10-17(15)18/h9-10,14,18H,3-8,11-13H2,1-2H3,(H,22,24).
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide?
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide has a molecular weight of 364.92 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56552307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).