4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide

C21H21FN2O3 — CID 110624077

IUPAC4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1F)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C21H21FN2O3/c22-18-9-2-1-8-17(18)19(25)10-11-20(26)23-16-7-5-6-15(14-16)21(27)24-12-3-4-13-24/h1-2,5-9,14H,3-4,10-13H2,(H,23,26)
InChIKeyBXBBAFSBJYBVBZ-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.66
Rot. Bonds6

About 4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide

4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide (PubChem CID 110624077) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
PubChem CID110624077
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1F)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C21H21FN2O3/c22-18-9-2-1-8-17(18)19(25)10-11-20(26)23-16-7-5-6-15(14-16)21(27)24-12-3-4-13-24/h1-2,5-9,14H,3-4,10-13H2,(H,23,26)
InChIKeyBXBBAFSBJYBVBZ-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide
CID 55862325
5-oxo-5-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 110353707
N-[3-(azepane-1-carbonyl)phenyl]-4-chlorobutanamide
CID 26159666
N-[3-(piperidine-1-carbonyl)phenyl]tetradecanamide
CID 54791960
2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158103
2-fluoro-6-hydroxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 99619341
1-(2-fluorophenyl)-4-[4-(3-methylbenzoyl)piperazin-1-yl]butane-1,4-dione
CID 110632664
4-amino-N-[3-(piperidine-1-carbonyl)phenyl]pentanamide;hydrochloride
CID 120560909
3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 120609510
2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54818358
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
N-[3-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrol-1-ylbutanamide
CID 56826279

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide (CID 110624077) is 4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide is O=C(CCC(=O)c1ccccc1F)Nc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of 4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The InChIKey is BXBBAFSBJYBVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c22-18-9-2-1-8-17(18)19(25)10-11-20(26)23-16-7-5-6-15(14-16)21(27)24-12-3-4-13-24/h1-2,5-9,14H,3-4,10-13H2,(H,23,26).
What are the key properties of 4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide?
4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide has a molecular weight of 368.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 110624077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).