(3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C16H19ClN2O3 — CID 94660912

IUPAC(3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)N[C@@H]2CCOc3c(Cl)cccc32)CC1=O
InChIInChI=1S/C16H19ClN2O3/c1-2-19-9-10(8-14(19)20)16(21)18-13-6-7-22-15-11(13)4-3-5-12(15)17/h3-5,10,13H,2,6-9H2,1H3,(H,18,21)/t10-,13-/m1/s1
InChIKeyZXAWQMSNWJBJCY-ZWNOBZJWSA-N
MW322.79 g/mol
LogP2.15
Rot. Bonds3

About (3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 94660912) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is (3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID94660912
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name(3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)N[C@@H]2CCOc3c(Cl)cccc32)CC1=O
InChIInChI=1S/C16H19ClN2O3/c1-2-19-9-10(8-14(19)20)16(21)18-13-6-7-22-15-11(13)4-3-5-12(15)17/h3-5,10,13H,2,6-9H2,1H3,(H,18,21)/t10-,13-/m1/s1
InChIKeyZXAWQMSNWJBJCY-ZWNOBZJWSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-ethyl-5-oxo-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]pyrrolidine-3-carboxamide
CID 95309657
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
CID 119301911
1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide
CID 95279883
trans-(1R,2R)-2-[[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119661
(3S)-1-ethyl-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-5-oxopyrrolidine-3-carboxamide
CID 94660919
(3S)-1-(2-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 41105707
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(ethylsulfonylamino)acetamide
CID 124588113
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide
CID 119301900
1-tert-butyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 108757191
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylazetidine-3-carboxamide
CID 128874525
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide
CID 119746250
2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide
CID 119746258

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 94660912) is (3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)N[C@@H]2CCOc3c(Cl)cccc32)CC1=O.
What is the InChIKey of (3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZXAWQMSNWJBJCY-ZWNOBZJWSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-2-19-9-10(8-14(19)20)16(21)18-13-6-7-22-15-11(13)4-3-5-12(15)17/h3-5,10,13H,2,6-9H2,1H3,(H,18,21)/t10-,13-/m1/s1.
What are the key properties of (3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 322.79 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94660912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).