1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide

C24H28FN3O3 — CID 50829892

IUPAC1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN1C(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H28FN3O3/c1-16(2)13-14-26-23(30)21-4-3-15-28(21)24(31)18-7-11-20(12-8-18)27-22(29)17-5-9-19(25)10-6-17/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyVYKNJZCNYPBCDU-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.84
Rot. Bonds7

About 1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide

1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide (PubChem CID 50829892) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
PubChem CID50829892
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN1C(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H28FN3O3/c1-16(2)13-14-26-23(30)21-4-3-15-28(21)24(31)18-7-11-20(12-8-18)27-22(29)17-5-9-19(25)10-6-17/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyVYKNJZCNYPBCDU-UHFFFAOYSA-N
XLogP3.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92729847
(2S)-1-(4-benzamidobenzoyl)-N-butylpyrrolidine-2-carboxamide
CID 92729968
(2R)-N-butyl-1-[4-[(4-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92729955
(2S)-1-(4-benzamidobenzoyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92729848
(2R)-N-butyl-1-[4-[(4-chlorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92729977
1-[4-[(4-methoxybenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 50829987
1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 50831023
1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 50830840
N-(3-methylbutyl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide
CID 50831088
(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92728882
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
N-butyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46388282

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide (CID 50829892) is 1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide is CC(C)CCNC(=O)C1CCCN1C(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide?
The InChIKey is VYKNJZCNYPBCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-16(2)13-14-26-23(30)21-4-3-15-28(21)24(31)18-7-11-20(12-8-18)27-22(29)17-5-9-19(25)10-6-17/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide?
1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 50829892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).