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

C14H17FN2O — CID 47311897

IUPACN-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCCC2)c(F)c1)C1CC1
InChIInChI=1S/C14H17FN2O/c15-12-9-11(16-14(18)10-3-4-10)5-6-13(12)17-7-1-2-8-17/h5-6,9-10H,1-4,7-8H2,(H,16,18)
InChIKeyCDAKVXQKSYXXBJ-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.77
Rot. Bonds3

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

N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide (PubChem CID 47311897) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
PubChem CID47311897
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCCC2)c(F)c1)C1CC1
InChIInChI=1S/C14H17FN2O/c15-12-9-11(16-14(18)10-3-4-10)5-6-13(12)17-7-1-2-8-17/h5-6,9-10H,1-4,7-8H2,(H,16,18)
InChIKeyCDAKVXQKSYXXBJ-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.77
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-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
4-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79209500
[1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate
CID 24856417
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 42751185
N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 139018785
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100
[1-[4-(cyclopropanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 24857734
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443142

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide (CID 47311897) is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide is O=C(Nc1ccc(N2CCCC2)c(F)c1)C1CC1.
What is the InChIKey of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide?
The InChIKey is CDAKVXQKSYXXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-12-9-11(16-14(18)10-3-4-10)5-6-13(12)17-7-1-2-8-17/h5-6,9-10H,1-4,7-8H2,(H,16,18).
What are the key properties of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide?
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide has a molecular weight of 248.30 g/mol, XLogP of 2.77, 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)cyclopropanecarboxamide is sourced from PubChem (CID 47311897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).