(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide

C17H14Br2N2O2 — CID 1040479

IUPAC(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H14Br2N2O2/c18-12-5-7-13(8-6-12)21-10-11(9-16(21)22)17(23)20-15-4-2-1-3-14(15)19/h1-8,11H,9-10H2,(H,20,23)/t11-/m1/s1
InChIKeyVKVXMFKSUIELSB-LLVKDONJSA-N
MW438.12 g/mol
LogP4.20
Rot. Bonds3

About (3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 1040479) has the molecular formula C17H14Br2N2O2 and a molecular weight of 438.12 g/mol. Its IUPAC name is (3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID1040479
Molecular FormulaC17H14Br2N2O2
Molecular Weight438.12 g/mol
Exact Mass435.94
IUPAC Name(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H14Br2N2O2/c18-12-5-7-13(8-6-12)21-10-11(9-16(21)22)17(23)20-15-4-2-1-3-14(15)19/h1-8,11H,9-10H2,(H,20,23)/t11-/m1/s1
InChIKeyVKVXMFKSUIELSB-LLVKDONJSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.12
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109940
(3R)-N-(2-bromophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7323830
(3S)-1-(4-bromophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102179
(3S)-N-(2-bromophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7449865
N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153911
(3S)-N-(2-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351107
(3S)-1-(4-bromophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 34751808
(3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39342065
(3R)-N-(4-bromo-2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1006550
(3R)-1-(4-bromophenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39348541
N-(2,5-dibromophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55611400
1-[[1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylurea
CID 46196744

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide (CID 1040479) is (3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of (3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VKVXMFKSUIELSB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14Br2N2O2/c18-12-5-7-13(8-6-12)21-10-11(9-16(21)22)17(23)20-15-4-2-1-3-14(15)19/h1-8,11H,9-10H2,(H,20,23)/t11-/m1/s1.
What are the key properties of (3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 438.12 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1040479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).