(3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide

C17H14BrIN2O2 — CID 1286829

IUPAC(3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H14BrIN2O2/c18-12-1-7-15(8-2-12)21-10-11(9-16(21)22)17(23)20-14-5-3-13(19)4-6-14/h1-8,11H,9-10H2,(H,20,23)/t11-/m0/s1
InChIKeyYKIOXXHFNLNWSD-NSHDSACASA-N
MW485.12 g/mol
LogP4.05
Rot. Bonds3

About (3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 1286829) has the molecular formula C17H14BrIN2O2 and a molecular weight of 485.12 g/mol. Its IUPAC name is (3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID1286829
Molecular FormulaC17H14BrIN2O2
Molecular Weight485.12 g/mol
Exact Mass483.93
IUPAC Name(3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H14BrIN2O2/c18-12-1-7-15(8-2-12)21-10-11(9-16(21)22)17(23)20-14-5-3-13(19)4-6-14/h1-8,11H,9-10H2,(H,20,23)/t11-/m0/s1
InChIKeyYKIOXXHFNLNWSD-NSHDSACASA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.12
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-bromophenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39348541
(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1366068
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
(3S)-1-(4-bromophenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7207517
(3R)-1-(4-bromophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 25344191
(3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528847
1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2889867
1-(4-bromophenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 42656080
1-(4-bromophenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52995994
1-[[1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylurea
CID 46196744
N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544056

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide (CID 1286829) is (3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of (3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YKIOXXHFNLNWSD-NSHDSACASA-N. The full InChI is InChI=1S/C17H14BrIN2O2/c18-12-1-7-15(8-2-12)21-10-11(9-16(21)22)17(23)20-14-5-3-13(19)4-6-14/h1-8,11H,9-10H2,(H,20,23)/t11-/m0/s1.
What are the key properties of (3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 485.12 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1286829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).