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

C17H16ClFN2O — CID 740785

IUPACN-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C17H16ClFN2O/c18-14-11-12(7-8-16(14)21-9-3-4-10-21)20-17(22)13-5-1-2-6-15(13)19/h1-2,5-8,11H,3-4,9-10H2,(H,20,22)
InChIKeyNXBGZFPFZNRMFT-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.33
Rot. Bonds3

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

N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-fluorobenzamide (PubChem CID 740785) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-fluorobenzamide
PubChem CID740785
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C17H16ClFN2O/c18-14-11-12(7-8-16(14)21-9-3-4-10-21)20-17(22)13-5-1-2-6-15(13)19/h1-2,5-8,11H,3-4,9-10H2,(H,20,22)
InChIKeyNXBGZFPFZNRMFT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-Chlorophenyl)benzamide
CID 95833
N-(2-Chlorophenyl)benzamide
CID 13918
N-(4-Amino-2-chloro-5-methylphenyl)benzamide
CID 67133
N-(2-chlorophenyl)-4-methylbenzamide
CID 723111
N-(4-Amino-2-chlorophenyl)phthalimide
CID 6603717
N-(3-chlorophenyl)-3-fluorobenzamide
CID 532008
N-(4-Aminophenyl)-4-chlorobenzamide
CID 960654
3,5-dichloro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
CID 59401771
N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 42266988
N-(3-Chloro-4-fluorophenyl)benzamide
CID 569594
Benzamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-fluoro-
CID 99284
N-(2,3-dichlorophenyl)benzamide
CID 836242

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-fluorobenzamide?
The IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-fluorobenzamide (CID 740785) is N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-fluorobenzamide?
The canonical SMILES for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-fluorobenzamide is O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1F.
What is the InChIKey of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-fluorobenzamide?
The InChIKey is NXBGZFPFZNRMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O/c18-14-11-12(7-8-16(14)21-9-3-4-10-21)20-17(22)13-5-1-2-6-15(13)19/h1-2,5-8,11H,3-4,9-10H2,(H,20,22).
What are the key properties of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-fluorobenzamide?
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-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-4-pyrrolidin-1-ylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 740785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).