3-(5-chloropentanoylamino)-4-fluorobenzamide

C12H14ClFN2O2 — CID 43698667

IUPAC3-(5-chloropentanoylamino)-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)CCCCCl)c1
InChIInChI=1S/C12H14ClFN2O2/c13-6-2-1-3-11(17)16-10-7-8(12(15)18)4-5-9(10)14/h4-5,7H,1-3,6H2,(H2,15,18)(H,16,17)
InChIKeyKZEKCTBLEGPWFN-UHFFFAOYSA-N
MW272.71 g/mol
LogP2.27
Rot. Bonds6

About 3-(5-chloropentanoylamino)-4-fluorobenzamide

3-(5-chloropentanoylamino)-4-fluorobenzamide (PubChem CID 43698667) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 3-(5-chloropentanoylamino)-4-fluorobenzamide.

Molecular Properties

Compound Name3-(5-chloropentanoylamino)-4-fluorobenzamide
PubChem CID43698667
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC Name3-(5-chloropentanoylamino)-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)CCCCCl)c1
InChIInChI=1S/C12H14ClFN2O2/c13-6-2-1-3-11(17)16-10-7-8(12(15)18)4-5-9(10)14/h4-5,7H,1-3,6H2,(H2,15,18)(H,16,17)
InChIKeyKZEKCTBLEGPWFN-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(5-carbamoyl-2-fluoroanilino)-6-oxohexanoic acid
CID 60940783
3-(4-chlorobutanoylamino)-4-fluorobenzoic acid
CID 63307746
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066
5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide
CID 55143429
3-(3-chloropropanoylamino)-4-fluorobenzoic acid
CID 43700942
3-(5-bromopentanoylamino)-4-fluorobenzoic acid
CID 107908999
N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
CID 102853254
methyl 4-fluoro-3-(hexanoylamino)benzoate
CID 78840494
3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide
CID 60785607
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropentanoylamino)-4-fluorobenzamide?
The IUPAC name of 3-(5-chloropentanoylamino)-4-fluorobenzamide (CID 43698667) is 3-(5-chloropentanoylamino)-4-fluorobenzamide.
What is the SMILES notation for 3-(5-chloropentanoylamino)-4-fluorobenzamide?
The canonical SMILES for 3-(5-chloropentanoylamino)-4-fluorobenzamide is NC(=O)c1ccc(F)c(NC(=O)CCCCCl)c1.
What is the InChIKey of 3-(5-chloropentanoylamino)-4-fluorobenzamide?
The InChIKey is KZEKCTBLEGPWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c13-6-2-1-3-11(17)16-10-7-8(12(15)18)4-5-9(10)14/h4-5,7H,1-3,6H2,(H2,15,18)(H,16,17).
What are the key properties of 3-(5-chloropentanoylamino)-4-fluorobenzamide?
3-(5-chloropentanoylamino)-4-fluorobenzamide has a molecular weight of 272.71 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropentanoylamino)-4-fluorobenzamide is sourced from PubChem (CID 43698667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).