N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide

C18H19FN2O2 — CID 113092344

IUPACN-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2N2CCCC2)cc1
InChIInChI=1S/C18H19FN2O2/c1-23-15-7-4-13(5-8-15)18(22)20-16-12-14(19)6-9-17(16)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyRMMSQJNGRPDNQK-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.69
Rot. Bonds4

About N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide

N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide (PubChem CID 113092344) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
PubChem CID113092344
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2N2CCCC2)cc1
InChIInChI=1S/C18H19FN2O2/c1-23-15-7-4-13(5-8-15)18(22)20-16-12-14(19)6-9-17(16)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyRMMSQJNGRPDNQK-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
4-fluoro-N-[3-[(4-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]benzamide
CID 46326630
4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092341
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092377
4-fluoro-N-(5-methoxy-2-morpholin-4-ylphenyl)benzamide
CID 6473304
N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092590
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide
CID 50791877
3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092337
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
methyl 4-pyrrolidin-1-yl-3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 55517601
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 113092691

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide?
The IUPAC name of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide (CID 113092344) is N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide?
The canonical SMILES for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(F)ccc2N2CCCC2)cc1.
What is the InChIKey of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide?
The InChIKey is RMMSQJNGRPDNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-23-15-7-4-13(5-8-15)18(22)20-16-12-14(19)6-9-17(16)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H,20,22).
What are the key properties of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide?
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide has a molecular weight of 314.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 113092344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).