N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide

C16H20F2N2O2 — CID 17487252

IUPACN-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NC1CCCC1
InChIInChI=1S/C16H20F2N2O2/c17-11-7-8-13(14(18)10-11)16(22)19-9-3-6-15(21)20-12-4-1-2-5-12/h7-8,10,12H,1-6,9H2,(H,19,22)(H,20,21)
InChIKeyONZVVYZEEFEGRB-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.53
Rot. Bonds6

About N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide

N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide (PubChem CID 17487252) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
PubChem CID17487252
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC NameN-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NC1CCCC1
InChIInChI=1S/C16H20F2N2O2/c17-11-7-8-13(14(18)10-11)16(22)19-9-3-6-15(21)20-12-4-1-2-5-12/h7-8,10,12H,1-6,9H2,(H,19,22)(H,20,21)
InChIKeyONZVVYZEEFEGRB-UHFFFAOYSA-N
XLogP2.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[4-oxo-4-(piperidin-3-ylamino)butyl]benzamide;hydrochloride
CID 119427082
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 119590822
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30670029
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
CID 119620646
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30317027
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide
CID 115646353
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide
CID 134020823
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
CID 79400649
2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide
CID 55717928

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide (CID 17487252) is N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide is O=C(CCCNC(=O)c1ccc(F)cc1F)NC1CCCC1.
What is the InChIKey of N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide?
The InChIKey is ONZVVYZEEFEGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c17-11-7-8-13(14(18)10-11)16(22)19-9-3-6-15(21)20-12-4-1-2-5-12/h7-8,10,12H,1-6,9H2,(H,19,22)(H,20,21).
What are the key properties of N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide?
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide has a molecular weight of 310.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide is sourced from PubChem (CID 17487252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).