(1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide

C14H15F2NO2 — CID 176648271

IUPAC(1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide
SMILESCc1c(F)ccc(N(C)C(=O)[C@@H]2CCC(=O)C2)c1F
InChIInChI=1S/C14H15F2NO2/c1-8-11(15)5-6-12(13(8)16)17(2)14(19)9-3-4-10(18)7-9/h5-6,9H,3-4,7H2,1-2H3/t9-/m1/s1
InChIKeyNKLGDXFFNBGSNQ-SECBINFHSA-N
MW267.27 g/mol
LogP2.61
Rot. Bonds2

About (1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide

(1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide (PubChem CID 176648271) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is (1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide
PubChem CID176648271
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name(1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide
SMILESCc1c(F)ccc(N(C)C(=O)[C@@H]2CCC(=O)C2)c1F
InChIInChI=1S/C14H15F2NO2/c1-8-11(15)5-6-12(13(8)16)17(2)14(19)9-3-4-10(18)7-9/h5-6,9H,3-4,7H2,1-2H3/t9-/m1/s1
InChIKeyNKLGDXFFNBGSNQ-SECBINFHSA-N
XLogP2.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 78917930
3-oxo-N-(2,3,4-trifluorophenyl)cyclopentane-1-carboxamide
CID 171323930
3-(2,4-difluorobenzoyl)cyclopentan-1-one
CID 79639435
3-(4-methylbenzoyl)cyclopentan-1-one
CID 79639548
(2S)-N-(3-chloro-2,4-difluorophenyl)-N,4-dimethyl-5-oxopyrrolidine-2-carboxamide
CID 176648273
4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide
CID 115150554
N-(2-fluorophenyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115150795
(1R)-N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide
CID 171777664
N-methoxy-N-methyl-3-oxocyclohexane-1-carboxamide
CID 172509097
1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 167980780
3-(4-fluoro-3-methylphenyl)cyclopentan-1-one
CID 64521311
N-methyl-N-(2-methylphenyl)cyclopropanecarboxamide
CID 64593225

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide?
The IUPAC name of (1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide (CID 176648271) is (1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide.
What is the SMILES notation for (1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide?
The canonical SMILES for (1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide is Cc1c(F)ccc(N(C)C(=O)[C@@H]2CCC(=O)C2)c1F.
What is the InChIKey of (1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide?
The InChIKey is NKLGDXFFNBGSNQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-8-11(15)5-6-12(13(8)16)17(2)14(19)9-3-4-10(18)7-9/h5-6,9H,3-4,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide?
(1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide has a molecular weight of 267.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2,4-difluoro-3-methylphenyl)-N-methyl-3-oxocyclopentane-1-carboxamide is sourced from PubChem (CID 176648271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).