N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide

C14H16ClF2NO — CID 107491458

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(C1Cc2ccccc2C1)N(CCCl)CC(F)F
InChIInChI=1S/C14H16ClF2NO/c15-5-6-18(9-13(16)17)14(19)12-7-10-3-1-2-4-11(10)8-12/h1-4,12-13H,5-9H2
InChIKeyNNKOUHDHBVNLHQ-UHFFFAOYSA-N
MW287.74 g/mol
LogP2.73
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 107491458) has the molecular formula C14H16ClF2NO and a molecular weight of 287.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID107491458
Molecular FormulaC14H16ClF2NO
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(C1Cc2ccccc2C1)N(CCCl)CC(F)F
InChIInChI=1S/C14H16ClF2NO/c15-5-6-18(9-13(16)17)14(19)12-7-10-3-1-2-4-11(10)8-12/h1-4,12-13H,5-9H2
InChIKeyNNKOUHDHBVNLHQ-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106894183
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107493235
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 107491895
N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 106894177
N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiolane-3-carboxamide
CID 107491118
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107491803
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703822
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106892916
N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclobutanecarboxamide
CID 107491582
4-[benzyl(2,2-difluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673939
(1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 95782962
N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703954

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 107491458) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide is O=C(C1Cc2ccccc2C1)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is NNKOUHDHBVNLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO/c15-5-6-18(9-13(16)17)14(19)12-7-10-3-1-2-4-11(10)8-12/h1-4,12-13H,5-9H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 287.74 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 107491458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).