N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide

C11H13FN2O — CID 64992307

IUPACN-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide
SMILESO=CNc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C11H13FN2O/c12-10-7-9(13-8-15)3-4-11(10)14-5-1-2-6-14/h3-4,7-8H,1-2,5-6H2,(H,13,15)
InChIKeyJPZYHGFBQLBNHV-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.99
Rot. Bonds3

About N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide

N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide (PubChem CID 64992307) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide
PubChem CID64992307
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide
SMILESO=CNc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C11H13FN2O/c12-10-7-9(13-8-15)3-4-11(10)14-5-1-2-6-14/h3-4,7-8H,1-2,5-6H2,(H,13,15)
InChIKeyJPZYHGFBQLBNHV-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide 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-4-pyrrolidin-1-ylphenyl)formamide
CID 168654015
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide
CID 167044569
N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 139018785
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
4-(azetidin-1-yl)-3-fluorobenzaldehyde
CID 130547544
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286665
2-[4-(azepan-1-yl)-3-fluoroanilino]ethene-1,1,2-tricarbonitrile
CID 168607976

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide?
The IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide (CID 64992307) is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide.
What is the SMILES notation for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide?
The canonical SMILES for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide is O=CNc1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide?
The InChIKey is JPZYHGFBQLBNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-10-7-9(13-8-15)3-4-11(10)14-5-1-2-6-14/h3-4,7-8H,1-2,5-6H2,(H,13,15).
What are the key properties of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide?
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide has a molecular weight of 208.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide is sourced from PubChem (CID 64992307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).