5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide

C12H15ClN2O — CID 115349249

IUPAC5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide
SMILESCCNC1(C(N)=O)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H15ClN2O/c1-2-15-12(11(14)16)6-8-3-4-10(13)5-9(8)7-12/h3-5,15H,2,6-7H2,1H3,(H2,14,16)
InChIKeyVTPQJWBZXXEXHU-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.27
Rot. Bonds3

About 5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide

5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide (PubChem CID 115349249) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide
PubChem CID115349249
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide
SMILESCCNC1(C(N)=O)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H15ClN2O/c1-2-15-12(11(14)16)6-8-3-4-10(13)5-9(8)7-12/h3-5,15H,2,6-7H2,1H3,(H2,14,16)
InChIKeyVTPQJWBZXXEXHU-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide
CID 113291821
2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide
CID 115349341
ethyl 5-chloro-2-(propylamino)-1,3-dihydroindene-2-carboxylate
CID 113291830
ethyl 5-chloro-2-(prop-2-ynylamino)-1,3-dihydroindene-2-carboxylate
CID 113291841
5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid
CID 115349312
ethyl 5-chloro-2-(prop-2-enoylamino)-1,3-dihydroindene-2-carboxylate
CID 146095225
ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate
CID 97290484
2-(2-bromoanilino)-5-chloro-1,3-dihydroindene-2-carboxylic acid
CID 115349297
ethyl 2-[(2-bromoacetyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylate
CID 68666879
1-ethyl-3-(ethylamino)azetidine-3-carboxamide
CID 67585701
2-(propylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 60797133
CID 163274301
CID 163274301

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide (CID 115349249) is 5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide is CCNC1(C(N)=O)Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide?
The InChIKey is VTPQJWBZXXEXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-2-15-12(11(14)16)6-8-3-4-10(13)5-9(8)7-12/h3-5,15H,2,6-7H2,1H3,(H2,14,16).
What are the key properties of 5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide?
5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide has a molecular weight of 238.72 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 115349249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).