N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide

C17H13ClN2O — CID 106892899

IUPACN-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C17H13ClN2O/c18-15-6-5-13(10-19)16(9-15)20-17(21)14-7-11-3-1-2-4-12(11)8-14/h1-6,9,14H,7-8H2,(H,20,21)
InChIKeyAYRVTQIWTLFAAF-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.57
Rot. Bonds2

About N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106892899) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106892899
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC NameN-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C17H13ClN2O/c18-15-6-5-13(10-19)16(9-15)20-17(21)14-7-11-3-1-2-4-12(11)8-14/h1-6,9,14H,7-8H2,(H,20,21)
InChIKeyAYRVTQIWTLFAAF-UHFFFAOYSA-N
XLogP3.57
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737104
cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366184
4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide
CID 79211095
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
N-(2-cyano-3-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703249
N-(5-chloro-2-cyanophenyl)-2-(2-chlorophenyl)acetamide
CID 60628654
5-[(5-chloro-2-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687943
1-(5-chloro-2-cyanophenyl)-3-(2-fluorophenyl)urea
CID 64918546
N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide
CID 78954514
4-chloro-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzonitrile
CID 43780560
N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 43702291
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106892899) is N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide is N#Cc1ccc(Cl)cc1NC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is AYRVTQIWTLFAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-15-6-5-13(10-19)16(9-15)20-17(21)14-7-11-3-1-2-4-12(11)8-14/h1-6,9,14H,7-8H2,(H,20,21).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106892899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).