N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide

C20H21FN2O2 — CID 154842062

IUPACN-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)C2)cc1F
InChIInChI=1S/C20H21FN2O2/c1-14-7-8-16(11-18(14)21)20(25)23-10-9-17(13-23)19(24)22-12-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-13H2,1H3,(H,22,24)
InChIKeyUSNRMCNRVDKPTK-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.91
Rot. Bonds4

About N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide

N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide (PubChem CID 154842062) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide
PubChem CID154842062
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)C2)cc1F
InChIInChI=1S/C20H21FN2O2/c1-14-7-8-16(11-18(14)21)20(25)23-10-9-17(13-23)19(24)22-12-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-13H2,1H3,(H,22,24)
InChIKeyUSNRMCNRVDKPTK-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 113004061
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384
(3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082606
N-ethyl-1-[2-[(3-fluoro-4-methylphenyl)methyl]benzoyl]pyrrolidine-3-carboxamide
CID 91841001
(3S)-N-ethyl-1-[2-[(3-fluoro-4-methylphenyl)methyl]benzoyl]pyrrolidine-3-carboxamide
CID 124751964
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 50829419
N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117
N-benzyl-1-(3,5-dichlorobenzoyl)piperidine-4-carboxamide
CID 41305444
(3S)-N-benzyl-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 170709592
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 136524441

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide (CID 154842062) is N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide is Cc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)C2)cc1F.
What is the InChIKey of N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide?
The InChIKey is USNRMCNRVDKPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14-7-8-16(11-18(14)21)20(25)23-10-9-17(13-23)19(24)22-12-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-13H2,1H3,(H,22,24).
What are the key properties of N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide?
N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154842062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).