N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide

C24H29FN2O2 — CID 42706792

IUPACN-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide
SMILESO=C(NCCCN(C(=O)CCC1CCCC1)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C24H29FN2O2/c25-21-11-6-10-20(18-21)24(29)26-16-7-17-27(22-12-2-1-3-13-22)23(28)15-14-19-8-4-5-9-19/h1-3,6,10-13,18-19H,4-5,7-9,14-17H2,(H,26,29)
InChIKeyICWVOIGXPDEDSH-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.95
Rot. Bonds9

About N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide

N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide (PubChem CID 42706792) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide
PubChem CID42706792
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC NameN-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide
SMILESO=C(NCCCN(C(=O)CCC1CCCC1)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C24H29FN2O2/c25-21-11-6-10-20(18-21)24(29)26-16-7-17-27(22-12-2-1-3-13-22)23(28)15-14-19-8-4-5-9-19/h1-3,6,10-13,18-19H,4-5,7-9,14-17H2,(H,26,29)
InChIKeyICWVOIGXPDEDSH-UHFFFAOYSA-N
XLogP4.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide
CID 42706802
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]-3-cyclopentyl-N-phenylpropanamide
CID 42706790
N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
CID 110444026
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
CID 113057546
2-fluoro-N-[3-(N-octanoylanilino)propyl]benzamide
CID 42702500
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide
CID 42705684
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
3-cyclohexyl-N-(3-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 166763737
N-carbamoyl-3-cyclohexyl-N-[2-(3-fluoroanilino)ethyl]propanamide
CID 173222069
N-(3-cyclopentylpropyl)-4-fluoro-2-hydroxybenzamide
CID 106011705

Frequently Asked Questions

What is the IUPAC name of N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide?
The IUPAC name of N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide (CID 42706792) is N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide?
The canonical SMILES for N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide is O=C(NCCCN(C(=O)CCC1CCCC1)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide?
The InChIKey is ICWVOIGXPDEDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c25-21-11-6-10-20(18-21)24(29)26-16-7-17-27(22-12-2-1-3-13-22)23(28)15-14-19-8-4-5-9-19/h1-3,6,10-13,18-19H,4-5,7-9,14-17H2,(H,26,29).
What are the key properties of N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide?
N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide has a molecular weight of 396.51 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[N-(3-cyclopentylpropanoyl)anilino]propyl]-3-fluorobenzamide is sourced from PubChem (CID 42706792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).