(1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide

C18H24Cl2N2O2 — CID 7038980

IUPAC(1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)[C@H]1Cc2ccccc2[C@H]1C(Cl)Cl
InChIInChI=1S/C18H24Cl2N2O2/c19-17(20)16-14-5-2-1-4-13(14)12-15(16)18(23)21-6-3-7-22-8-10-24-11-9-22/h1-2,4-5,15-17H,3,6-12H2,(H,21,23)/t15-,16+/m0/s1
InChIKeyHCDPYHLDBBGAFP-JKSUJKDBSA-N
MW371.31 g/mol
LogP2.58
Rot. Bonds6

About (1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide

(1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 7038980) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is (1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name(1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID7038980
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name(1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)[C@H]1Cc2ccccc2[C@H]1C(Cl)Cl
InChIInChI=1S/C18H24Cl2N2O2/c19-17(20)16-14-5-2-1-4-13(14)12-15(16)18(23)21-6-3-7-22-8-10-24-11-9-22/h1-2,4-5,15-17H,3,6-12H2,(H,21,23)/t15-,16+/m0/s1
InChIKeyHCDPYHLDBBGAFP-JKSUJKDBSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111073429
(4aS,5S)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93122992
(3S)-2-acetyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95293253
(4aR,5R)-N-(3-morpholin-4-ylpropyl)-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93122973
(4aR,5S)-N-(3-morpholin-4-ylpropyl)-3-pyrimidin-2-yl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93122972
(4aR,5R)-3-(3-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93123003
(4aS,5S)-N-(3-morpholin-4-ylpropyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93122894
2-(furan-2-carbonyl)-N-(4-morpholin-4-ylbutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55742369
N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 119994993
5-benzyl-N-(3-morpholin-4-ylpropyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131660694
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of (1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 7038980) is (1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for (1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for (1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide is O=C(NCCCN1CCOCC1)[C@H]1Cc2ccccc2[C@H]1C(Cl)Cl.
What is the InChIKey of (1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is HCDPYHLDBBGAFP-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c19-17(20)16-14-5-2-1-4-13(14)12-15(16)18(23)21-6-3-7-22-8-10-24-11-9-22/h1-2,4-5,15-17H,3,6-12H2,(H,21,23)/t15-,16+/m0/s1.
What are the key properties of (1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide?
(1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 371.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(dichloromethyl)-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 7038980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).