N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide

C17H16ClFN2O — CID 1252929

IUPACN-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide
SMILESO=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O/c18-14-4-3-5-15(16(14)21-10-1-2-11-21)20-17(22)12-6-8-13(19)9-7-12/h3-9H,1-2,10-11H2,(H,20,22)
InChIKeyIUFLPXNKQIGBRE-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.33
Rot. Bonds3

About N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide

N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide (PubChem CID 1252929) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide
PubChem CID1252929
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC NameN-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide
SMILESO=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O/c18-14-4-3-5-15(16(14)21-10-1-2-11-21)20-17(22)12-6-8-13(19)9-7-12/h3-9H,1-2,10-11H2,(H,20,22)
InChIKeyIUFLPXNKQIGBRE-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
CID 952476
4-butoxy-N-(3-chloro-2-pyrrolidin-1-ylphenyl)benzamide
CID 4000816
N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1254488
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide
CID 17176995
N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3-fluorobenzamide
CID 4032588
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 5126115
N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
CID 4308425
4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 5030809
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide
CID 2301869

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide?
The IUPAC name of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide (CID 1252929) is N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide?
The canonical SMILES for N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide is O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(F)cc1.
What is the InChIKey of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide?
The InChIKey is IUFLPXNKQIGBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-14-4-3-5-15(16(14)21-10-1-2-11-21)20-17(22)12-6-8-13(19)9-7-12/h3-9H,1-2,10-11H2,(H,20,22).
What are the key properties of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide?
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide has a molecular weight of 318.78 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 1252929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).