(2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide

C13H17ClFNO — CID 171580435

IUPAC(2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide
SMILESCC(C)c1ccc(Cl)c([C@@H](F)C(=O)N(C)C)c1
InChIInChI=1S/C13H17ClFNO/c1-8(2)9-5-6-11(14)10(7-9)12(15)13(17)16(3)4/h5-8,12H,1-4H3/t12-/m1/s1
InChIKeyOFURCNZEQSXSTD-GFCCVEGCSA-N
MW257.74 g/mol
LogP3.56
Rot. Bonds3

About (2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide

(2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide (PubChem CID 171580435) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is (2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide
PubChem CID171580435
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name(2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide
SMILESCC(C)c1ccc(Cl)c([C@@H](F)C(=O)N(C)C)c1
InChIInChI=1S/C13H17ClFNO/c1-8(2)9-5-6-11(14)10(7-9)12(15)13(17)16(3)4/h5-8,12H,1-4H3/t12-/m1/s1
InChIKeyOFURCNZEQSXSTD-GFCCVEGCSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 170073168
1-(2-chloro-5-propan-2-ylphenyl)ethanone
CID 83988508
1-[2-chloro-5-(difluoromethyl)phenyl]ethanol
CID 84674717
N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate
CID 21398762
2-chloro-5-propan-2-ylphenol
CID 59596487
(2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol
CID 63427004
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide
CID 82118131
2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide
CID 106818464
1-(2-chloro-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 163264575
2-chloro-5-propan-2-ylbenzaldehyde;methanamine
CID 168894459
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide?
The IUPAC name of (2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide (CID 171580435) is (2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide.
What is the SMILES notation for (2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide?
The canonical SMILES for (2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide is CC(C)c1ccc(Cl)c([C@@H](F)C(=O)N(C)C)c1.
What is the InChIKey of (2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide?
The InChIKey is OFURCNZEQSXSTD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-8(2)9-5-6-11(14)10(7-9)12(15)13(17)16(3)4/h5-8,12H,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide?
(2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide has a molecular weight of 257.74 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide is sourced from PubChem (CID 171580435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).