N,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide

C20H21F2N3O2 — CID 145487876

IUPACN,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide
SMILESO=C(CCN1CCCC1)Nc1cc(F)cc(C(=O)N(F)c2ccccc2)c1
InChIInChI=1S/C20H21F2N3O2/c21-16-12-15(20(27)25(22)18-6-2-1-3-7-18)13-17(14-16)23-19(26)8-11-24-9-4-5-10-24/h1-3,6-7,12-14H,4-5,8-11H2,(H,23,26)
InChIKeyNULOUTRJWWDUJM-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.78
Rot. Bonds6

About N,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide

N,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide (PubChem CID 145487876) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is N,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide.

Molecular Properties

Compound NameN,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide
PubChem CID145487876
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC NameN,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide
SMILESO=C(CCN1CCCC1)Nc1cc(F)cc(C(=O)N(F)c2ccccc2)c1
InChIInChI=1S/C20H21F2N3O2/c21-16-12-15(20(27)25(22)18-6-2-1-3-7-18)13-17(14-16)23-19(26)8-11-24-9-4-5-10-24/h1-3,6-7,12-14H,4-5,8-11H2,(H,23,26)
InChIKeyNULOUTRJWWDUJM-UHFFFAOYSA-N
XLogP3.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
3-methyl-N-phenyl-5-(4-pyrrolidin-1-ylbutanoylamino)benzamide
CID 71054516
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
N-(3,5-dichlorophenyl)-3-piperidin-1-ylpropanamide
CID 23906957
3-[[3-acetyl-5-(3-pyrrolidin-1-ylpropanoylamino)phenyl]carbamoylamino]-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide;toluene
CID 145487920
N-(3-fluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 33363762
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
N-pyridin-2-yl-3-pyrrolidin-1-ylpropanamide
CID 110688245
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946

Frequently Asked Questions

What is the IUPAC name of N,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide?
The IUPAC name of N,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide (CID 145487876) is N,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide.
What is the SMILES notation for N,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide?
The canonical SMILES for N,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide is O=C(CCN1CCCC1)Nc1cc(F)cc(C(=O)N(F)c2ccccc2)c1.
What is the InChIKey of N,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide?
The InChIKey is NULOUTRJWWDUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c21-16-12-15(20(27)25(22)18-6-2-1-3-7-18)13-17(14-16)23-19(26)8-11-24-9-4-5-10-24/h1-3,6-7,12-14H,4-5,8-11H2,(H,23,26).
What are the key properties of N,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide?
N,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide has a molecular weight of 373.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-difluoro-N-phenyl-5-(3-pyrrolidin-1-ylpropanoylamino)benzamide is sourced from PubChem (CID 145487876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).