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

C18H15ClFN3O — CID 2301869

IUPACN-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)c(F)c1
InChIInChI=1S/C18H15ClFN3O/c19-14-4-3-5-16(17(14)23-8-1-2-9-23)22-18(24)13-7-6-12(11-21)10-15(13)20/h3-7,10H,1-2,8-9H2,(H,22,24)
InChIKeyXFDOOJQPDGGFNB-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.20
Rot. Bonds3

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

N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide (PubChem CID 2301869) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide
PubChem CID2301869
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC NameN-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide
SMILESN#Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)c(F)c1
InChIInChI=1S/C18H15ClFN3O/c19-14-4-3-5-16(17(14)23-8-1-2-9-23)22-18(24)13-7-6-12(11-21)10-15(13)20/h3-7,10H,1-2,8-9H2,(H,22,24)
InChIKeyXFDOOJQPDGGFNB-UHFFFAOYSA-N
XLogP4.20
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
CID 675546
5-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 3967423
2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide
CID 5034506
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide
CID 1252929
2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide
CID 3596700
4-cyano-2-fluoro-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 17118267
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
N-(3-chloro-2-piperidin-1-ylphenyl)-2,4-dimethoxybenzamide
CID 17274353
N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide
CID 953858
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluorobenzamide
CID 17066142
4-cyano-N-[2-(difluoromethoxy)phenyl]-2-fluorobenzamide
CID 953070

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide?
The IUPAC name of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide (CID 2301869) is N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide.
What is the SMILES notation for N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide?
The canonical SMILES for N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide is N#Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)c(F)c1.
What is the InChIKey of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide?
The InChIKey is XFDOOJQPDGGFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c19-14-4-3-5-16(17(14)23-8-1-2-9-23)22-18(24)13-7-6-12(11-21)10-15(13)20/h3-7,10H,1-2,8-9H2,(H,22,24).
What are the key properties of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide?
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide has a molecular weight of 343.79 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide is sourced from PubChem (CID 2301869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).