N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide

C12H14ClFN2O2 — CID 63309475

IUPACN-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
SMILESCC(=O)Nc1cc(NC(=O)CCCCl)ccc1F
InChIInChI=1S/C12H14ClFN2O2/c1-8(17)15-11-7-9(4-5-10(11)14)16-12(18)3-2-6-13/h4-5,7H,2-3,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyRIUJXEOCFXAEPV-UHFFFAOYSA-N
MW272.71 g/mol
LogP2.74
Rot. Bonds5

About N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide

N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide (PubChem CID 63309475) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
PubChem CID63309475
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC NameN-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
SMILESCC(=O)Nc1cc(NC(=O)CCCCl)ccc1F
InChIInChI=1S/C12H14ClFN2O2/c1-8(17)15-11-7-9(4-5-10(11)14)16-12(18)3-2-6-13/h4-5,7H,2-3,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyRIUJXEOCFXAEPV-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 52.74
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

4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
CID 52559111
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
N-(4-acetamido-3-methylphenyl)-5-chloropentanamide
CID 43696544
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
3-(4-chlorobutanoylamino)-4-fluorobenzoic acid
CID 63307746
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
N-(3-acetamido-4-fluorophenyl)-5-(dithiolan-3-yl)pentanamide
CID 55546012
N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 55552164
N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950267
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide (CID 63309475) is N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide is CC(=O)Nc1cc(NC(=O)CCCCl)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide?
The InChIKey is RIUJXEOCFXAEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c1-8(17)15-11-7-9(4-5-10(11)14)16-12(18)3-2-6-13/h4-5,7H,2-3,6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide?
N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide has a molecular weight of 272.71 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide is sourced from PubChem (CID 63309475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).