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

C19H18BrClN2O2 — CID 139023934

IUPACN-[(4-bromophenyl)methyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)C1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C19H18BrClN2O2/c20-15-7-5-13(6-8-15)11-22-19(25)17-9-10-18(24)23(17)12-14-3-1-2-4-16(14)21/h1-8,17H,9-12H2,(H,22,25)
InChIKeyLQIUUSSRSZKOSJ-UHFFFAOYSA-N
MW421.72 g/mol
LogP3.91
Rot. Bonds5

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

N-[(4-bromophenyl)methyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 139023934) has the molecular formula C19H18BrClN2O2 and a molecular weight of 421.72 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID139023934
Molecular FormulaC19H18BrClN2O2
Molecular Weight421.72 g/mol
Exact Mass420.02
IUPAC NameN-[(4-bromophenyl)methyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)C1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C19H18BrClN2O2/c20-15-7-5-13(6-8-15)11-22-19(25)17-9-10-18(24)23(17)12-14-3-1-2-4-16(14)21/h1-8,17H,9-12H2,(H,22,25)
InChIKeyLQIUUSSRSZKOSJ-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.72
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopentyl-5-oxoprolinamide
CID 49864819
N-[(2-chloro-4-fluorophenyl)methyl]-1-(1-methylethyl)-5-oxo-prolinamide
CID 49864875
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxoprolinamide
CID 49864911
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propylpyrrolidine-2-carboxamide
CID 49864912
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 49864913
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-(phenylmethyl)prolinamide
CID 49864914
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclobutyl-5-oxopyrrolidine-2-carboxamide
CID 49864915
(2S)-N-[(2-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864948
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxo-D-prolinamide
CID 49865054
Pyrrolidine-1,2-dicarboxylic acid 1-benzylamide 2-(2-chloro-benzylamide)
CID 3219629
N-[2-(4-chlorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 3612505

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 139023934) is N-[(4-bromophenyl)methyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is O=C(NCc1ccc(Br)cc1)C1CCC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LQIUUSSRSZKOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O2/c20-15-7-5-13(6-8-15)11-22-19(25)17-9-10-18(24)23(17)12-14-3-1-2-4-16(14)21/h1-8,17H,9-12H2,(H,22,25).
What are the key properties of N-[(4-bromophenyl)methyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[(4-bromophenyl)methyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 421.72 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 139023934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).