N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide

C22H23F2N3O3 — CID 30670029

IUPACN-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C22H23F2N3O3/c23-14-9-10-16(18(24)13-14)21(29)25-12-11-20(28)27-19-8-4-3-7-17(19)22(30)26-15-5-1-2-6-15/h3-4,7-10,13,15H,1-2,5-6,11-12H2,(H,25,29)(H,26,30)(H,27,28)
InChIKeyULGCXGHMWDYNTK-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.40
Rot. Bonds7

About N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 30670029) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID30670029
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC NameN-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C22H23F2N3O3/c23-14-9-10-16(18(24)13-14)21(29)25-12-11-20(28)27-19-8-4-3-7-17(19)22(30)26-15-5-1-2-6-15/h3-4,7-10,13,15H,1-2,5-6,11-12H2,(H,25,29)(H,26,30)(H,27,28)
InChIKeyULGCXGHMWDYNTK-UHFFFAOYSA-N
XLogP3.40
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
N-cyclopentyl-2-[[2-(2,5-difluoroanilino)acetyl]amino]benzamide
CID 33162764
N-[2-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]phenyl]pyrrolidine-1-carboxamide
CID 55736984
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
N-cyclohexyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]benzamide
CID 17191566
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
N-cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]benzamide
CID 9046628
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30317027
5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
CID 4949663

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide (CID 30670029) is N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide is O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is ULGCXGHMWDYNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c23-14-9-10-16(18(24)13-14)21(29)25-12-11-20(28)27-19-8-4-3-7-17(19)22(30)26-15-5-1-2-6-15/h3-4,7-10,13,15H,1-2,5-6,11-12H2,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 415.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 30670029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).