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

C14H19ClN2O — CID 113291821

IUPAC5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide
SMILESCC(C)CNC1(C(N)=O)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H19ClN2O/c1-9(2)8-17-14(13(16)18)6-10-3-4-12(15)5-11(10)7-14/h3-5,9,17H,6-8H2,1-2H3,(H2,16,18)
InChIKeyDJJKFMOZVCJNRT-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.91
Rot. Bonds4

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

5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide (PubChem CID 113291821) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide
PubChem CID113291821
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide
SMILESCC(C)CNC1(C(N)=O)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H19ClN2O/c1-9(2)8-17-14(13(16)18)6-10-3-4-12(15)5-11(10)7-14/h3-5,9,17H,6-8H2,1-2H3,(H2,16,18)
InChIKeyDJJKFMOZVCJNRT-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(ethylamino)-1,3-dihydroindene-2-carboxamide
CID 115349249
7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 115510759
2-(3-azidopropylamino)-5-chloro-1,3-dihydroindene-2-carboxamide
CID 115349341
2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 61001565
5-chloro-2-(cyclopropylmethylamino)-1,3-dihydroindene-2-carboxylic acid
CID 115349312
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
7-methoxy-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 115510793
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
3,3-dimethyl-1-(2-methylpropylamino)cyclopentane-1-carboxamide
CID 80705707
methyl (2S)-2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propanoate
CID 113291777

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide (CID 113291821) is 5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide is CC(C)CNC1(C(N)=O)Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide?
The InChIKey is DJJKFMOZVCJNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9(2)8-17-14(13(16)18)6-10-3-4-12(15)5-11(10)7-14/h3-5,9,17H,6-8H2,1-2H3,(H2,16,18).
What are the key properties of 5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide?
5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 113291821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).