N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide

C26H25FN2O2 — CID 42681083

IUPACN-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1C1CN(C(=O)c2ccccc2F)CC1C(=O)NCc1ccccc1
InChIInChI=1S/C26H25FN2O2/c1-18-9-5-6-12-20(18)22-16-29(26(31)21-13-7-8-14-24(21)27)17-23(22)25(30)28-15-19-10-3-2-4-11-19/h2-14,22-23H,15-17H2,1H3,(H,28,30)
InChIKeyOSSAGYHSOIYEAJ-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.31
Rot. Bonds5

About N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide

N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide (PubChem CID 42681083) has the molecular formula C26H25FN2O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
PubChem CID42681083
Molecular FormulaC26H25FN2O2
Molecular Weight416.50 g/mol
Exact Mass416.19
IUPAC NameN-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1C1CN(C(=O)c2ccccc2F)CC1C(=O)NCc1ccccc1
InChIInChI=1S/C26H25FN2O2/c1-18-9-5-6-12-20(18)22-16-29(26(31)21-13-7-8-14-24(21)27)17-23(22)25(30)28-15-19-10-3-2-4-11-19/h2-14,22-23H,15-17H2,1H3,(H,28,30)
InChIKeyOSSAGYHSOIYEAJ-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 42828575
(3S,4R)-N-[(4-fluorophenyl)methyl]-1-(3-methylbutanoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 97479169
(3S,4R)-N-(2-methoxyethyl)-1-(2-methylbenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152687
(3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide
CID 93152032
(3S,4S)-N-(2-methoxyethyl)-1-(2-methylbenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152688
(3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994800
(3R,4R)-N-benzyl-4-(3-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93150878
1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680876
(3S,4S)-N-benzyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151783
(3R,4R)-4-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93150722
(3R,4R)-1-benzoyl-N-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151893
(3S,4R)-N-benzyl-4-(2-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93151797

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide (CID 42681083) is N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide is Cc1ccccc1C1CN(C(=O)c2ccccc2F)CC1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is OSSAGYHSOIYEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O2/c1-18-9-5-6-12-20(18)22-16-29(26(31)21-13-7-8-14-24(21)27)17-23(22)25(30)28-15-19-10-3-2-4-11-19/h2-14,22-23H,15-17H2,1H3,(H,28,30).
What are the key properties of N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide?
N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-fluorobenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42681083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).