2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide

C13H16ClFN2O2 — CID 176514590

IUPAC2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1c(F)cccc1NC(=O)C(C)Cl
InChIInChI=1S/C13H16ClFN2O2/c1-7(2)16-13(19)11-9(15)5-4-6-10(11)17-12(18)8(3)14/h4-8H,1-3H3,(H,16,19)(H,17,18)
InChIKeyPYWNJYMPOCGTDV-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.53
Rot. Bonds4

About 2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide

2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide (PubChem CID 176514590) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide
PubChem CID176514590
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1c(F)cccc1NC(=O)C(C)Cl
InChIInChI=1S/C13H16ClFN2O2/c1-7(2)16-13(19)11-9(15)5-4-6-10(11)17-12(18)8(3)14/h4-8H,1-3H3,(H,16,19)(H,17,18)
InChIKeyPYWNJYMPOCGTDV-UHFFFAOYSA-N
XLogP2.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580716
(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
CID 93258112
2-(2-aminopropanoylamino)-6-fluorobenzoic acid
CID 61156859
2-(butan-2-ylcarbamoylamino)-6-fluorobenzoic acid
CID 61187180
methyl 2-fluoro-6-(2-methylbutanoylamino)benzoate
CID 144566925
2-(2-acetamidopropanoylamino)-6-fluorobenzoic acid
CID 43442727
4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180579
[(1R)-1-[(2,6-difluorobenzoyl)amino]ethyl]-trihydroxyboranuide
CID 53301829
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-6-fluorobenzoic acid
CID 61498833
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
N-(2-chloro-1-methoxyethyl)-2,6-difluorobenzamide
CID 10999433

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide (CID 176514590) is 2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1c(F)cccc1NC(=O)C(C)Cl.
What is the InChIKey of 2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide?
The InChIKey is PYWNJYMPOCGTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-7(2)16-13(19)11-9(15)5-4-6-10(11)17-12(18)8(3)14/h4-8H,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide?
2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide has a molecular weight of 286.73 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropropanoylamino)-6-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 176514590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).