N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C19H18BrFN2O2 — CID 139023921

IUPACN-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(Br)c1)C1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C19H18BrFN2O2/c20-15-3-1-2-14(10-15)11-22-19(25)17-8-9-18(24)23(17)12-13-4-6-16(21)7-5-13/h1-7,10,17H,8-9,11-12H2,(H,22,25)
InChIKeyNKUIGCJKJXUGSV-UHFFFAOYSA-N
MW405.27 g/mol
LogP3.40
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 139023921) has the molecular formula C19H18BrFN2O2 and a molecular weight of 405.27 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID139023921
Molecular FormulaC19H18BrFN2O2
Molecular Weight405.27 g/mol
Exact Mass404.05
IUPAC NameN-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(Br)c1)C1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C19H18BrFN2O2/c20-15-3-1-2-14(10-15)11-22-19(25)17-8-9-18(24)23(17)12-13-4-6-16(21)7-5-13/h1-7,10,17H,8-9,11-12H2,(H,22,25)
InChIKeyNKUIGCJKJXUGSV-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 139023926
(2S)-N-[(4-fluorophenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739130
2-methoxy-5-[[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125153610
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide
CID 15682110
N-[(3-methylphenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730995
(2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67458133
N-ethylethanamine;(2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 3042469
1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110614172
N-[(4-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42642595
1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
CID 110625068
N-[3-(3-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954637

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 139023921) is N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is O=C(NCc1cccc(Br)c1)C1CCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NKUIGCJKJXUGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2O2/c20-15-3-1-2-14(10-15)11-22-19(25)17-8-9-18(24)23(17)12-13-4-6-16(21)7-5-13/h1-7,10,17H,8-9,11-12H2,(H,22,25).
What are the key properties of N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 405.27 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 139023921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).