3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide

C11H13ClFNO — CID 62729006

IUPAC3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
SMILESCc1ccc(F)cc1NC(=O)C(C)CCl
InChIInChI=1S/C11H13ClFNO/c1-7-3-4-9(13)5-10(7)14-11(15)8(2)6-12/h3-5,8H,6H2,1-2H3,(H,14,15)
InChIKeyYTOFMHAGABRNQM-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.95
Rot. Bonds3

About 3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide

3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide (PubChem CID 62729006) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
PubChem CID62729006
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
SMILESCc1ccc(F)cc1NC(=O)C(C)CCl
InChIInChI=1S/C11H13ClFNO/c1-7-3-4-9(13)5-10(7)14-11(15)8(2)6-12/h3-5,8H,6H2,1-2H3,(H,14,15)
InChIKeyYTOFMHAGABRNQM-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044
3-[(5-fluoro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62671152
3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 62727205
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
(2S)-2-[(5-fluoro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61191548
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 4865310
N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939047
N-(5-fluoro-2-methylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926207
(2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide
CID 96566270
5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid
CID 82844997
4-[(3-chloro-2-methylpropanoyl)amino]-3-methylbenzoic acid
CID 62726428

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide?
The IUPAC name of 3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide (CID 62729006) is 3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide is Cc1ccc(F)cc1NC(=O)C(C)CCl.
What is the InChIKey of 3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide?
The InChIKey is YTOFMHAGABRNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-7-3-4-9(13)5-10(7)14-11(15)8(2)6-12/h3-5,8H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide?
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide has a molecular weight of 229.68 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 62729006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).