N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide

C22H25FN2O2 — CID 110625873

IUPACN-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCN1C(=O)CCCc1ccccc1F
InChIInChI=1S/C22H25FN2O2/c23-19-12-5-4-10-18(19)11-6-14-21(26)25-15-7-13-20(25)22(27)24-16-17-8-2-1-3-9-17/h1-5,8-10,12,20H,6-7,11,13-16H2,(H,24,27)
InChIKeyUYYDLEQEQYQEGB-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.46
Rot. Bonds7

About N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide

N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide (PubChem CID 110625873) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide
PubChem CID110625873
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCN1C(=O)CCCc1ccccc1F
InChIInChI=1S/C22H25FN2O2/c23-19-12-5-4-10-18(19)11-6-14-21(26)25-15-7-13-20(25)22(27)24-16-17-8-2-1-3-9-17/h1-5,8-10,12,20H,6-7,11,13-16H2,(H,24,27)
InChIKeyUYYDLEQEQYQEGB-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
(2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide
CID 110305953
methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110754462
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 10178068
(2S)-N-benzyl-1-[4-(4-methylphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 110305940
N-benzyl-1-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 110625844
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
CID 118738129
(2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720594

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide (CID 110625873) is N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1)C1CCCN1C(=O)CCCc1ccccc1F.
What is the InChIKey of N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide?
The InChIKey is UYYDLEQEQYQEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-19-12-5-4-10-18(19)11-6-14-21(26)25-15-7-13-20(25)22(27)24-16-17-8-2-1-3-9-17/h1-5,8-10,12,20H,6-7,11,13-16H2,(H,24,27).
What are the key properties of N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide?
N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110625873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).