1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide

C15H18ClN3O2 — CID 56819408

IUPAC1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NC2CCc3c(Cl)cccc32)C1
InChIInChI=1S/C15H18ClN3O2/c16-12-3-1-2-11-10(12)4-5-13(11)18-15(21)19-7-6-9(8-19)14(17)20/h1-3,9,13H,4-8H2,(H2,17,20)(H,18,21)
InChIKeyRPQLVDMDDRQRHS-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.84
Rot. Bonds2

About 1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide

1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide (PubChem CID 56819408) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide
PubChem CID56819408
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NC2CCc3c(Cl)cccc32)C1
InChIInChI=1S/C15H18ClN3O2/c16-12-3-1-2-11-10(12)4-5-13(11)18-15(21)19-7-6-9(8-19)14(17)20/h1-3,9,13H,4-8H2,(H2,17,20)(H,18,21)
InChIKeyRPQLVDMDDRQRHS-UHFFFAOYSA-N
XLogP1.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
(3S)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide
CID 99778409
8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 136547243
1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide
CID 95351345
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015654
(2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
CID 95582124
(2R)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124606343
(1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 100877000
N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 86947445
2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 119746692
3-(4-chloro-2,3-dihydro-1H-inden-1-yl)-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 71879257
(2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride
CID 119302125

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide (CID 56819408) is 1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide is NC(=O)C1CCN(C(=O)NC2CCc3c(Cl)cccc32)C1.
What is the InChIKey of 1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide?
The InChIKey is RPQLVDMDDRQRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-12-3-1-2-11-10(12)4-5-13(11)18-15(21)19-7-6-9(8-19)14(17)20/h1-3,9,13H,4-8H2,(H2,17,20)(H,18,21).
What are the key properties of 1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide?
1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide has a molecular weight of 307.78 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 56819408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).