2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide

C14H15F2NO2 — CID 162416140

IUPAC2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide
SMILESCC(C)NC(=O)C1(C(F)F)Cc2ccccc2C1=O
InChIInChI=1S/C14H15F2NO2/c1-8(2)17-13(19)14(12(15)16)7-9-5-3-4-6-10(9)11(14)18/h3-6,8,12H,7H2,1-2H3,(H,17,19)
InChIKeyPUECOJVCSHWLAK-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.20
Rot. Bonds3

About 2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide

2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide (PubChem CID 162416140) has the molecular formula C14H15F2NO2 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide
PubChem CID162416140
Molecular FormulaC14H15F2NO2
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide
SMILESCC(C)NC(=O)C1(C(F)F)Cc2ccccc2C1=O
InChIInChI=1S/C14H15F2NO2/c1-8(2)17-13(19)14(12(15)16)7-9-5-3-4-6-10(9)11(14)18/h3-6,8,12H,7H2,1-2H3,(H,17,19)
InChIKeyPUECOJVCSHWLAK-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-2-(difluoromethyl)-3-oxo-1H-indene-2-carboxamide
CID 162416138
methyl 3-oxo-2-propan-2-yl-1H-indene-2-carboxylate
CID 13461881
2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide
CID 156783192
methyl (2S)-2-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]-3-oxo-1H-indene-2-carboxylate
CID 134973026
methyl (2S)-2-[(1R)-1-(4-methylphenyl)-2-nitroethyl]-3-oxo-1H-indene-2-carboxylate
CID 102391570
methyl 2-methoxy-3-oxo-1H-indene-2-carboxylate
CID 102173835
propan-2-yl (2S)-2-hydroxy-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 162401307
2-methyl-4-oxo-1,3-dihydronaphthalene-2-carboxylic acid
CID 12822852
2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
CID 59717541
(2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one
CID 102246786
methyl 3-oxo-2-(2-oxopropyl)-1H-indene-2-carboxylate
CID 134850202
methyl 2-(1-naphthalen-1-yl-2-nitroethyl)-3-oxo-1H-indene-2-carboxylate
CID 23237959

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide?
The IUPAC name of 2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide (CID 162416140) is 2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide is CC(C)NC(=O)C1(C(F)F)Cc2ccccc2C1=O.
What is the InChIKey of 2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide?
The InChIKey is PUECOJVCSHWLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-8(2)17-13(19)14(12(15)16)7-9-5-3-4-6-10(9)11(14)18/h3-6,8,12H,7H2,1-2H3,(H,17,19).
What are the key properties of 2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide?
2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide has a molecular weight of 267.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide is sourced from PubChem (CID 162416140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).