(3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C19H17BrFN3O3 — CID 39342065

IUPAC(3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1Br
InChIInChI=1S/C19H17BrFN3O3/c20-15-3-1-2-4-16(15)23-17(25)10-22-19(27)12-9-18(26)24(11-12)14-7-5-13(21)6-8-14/h1-8,12H,9-11H2,(H,22,27)(H,23,25)/t12-/m1/s1
InChIKeyBSAHNQHZUKPYEM-GFCCVEGCSA-N
MW434.27 g/mol
LogP2.70
Rot. Bonds5

About (3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 39342065) has the molecular formula C19H17BrFN3O3 and a molecular weight of 434.27 g/mol. Its IUPAC name is (3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID39342065
Molecular FormulaC19H17BrFN3O3
Molecular Weight434.27 g/mol
Exact Mass433.04
IUPAC Name(3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1Br
InChIInChI=1S/C19H17BrFN3O3/c20-15-3-1-2-4-16(15)23-17(25)10-22-19(27)12-9-18(26)24(11-12)14-7-5-13(21)6-8-14/h1-8,12H,9-11H2,(H,22,27)(H,23,25)/t12-/m1/s1
InChIKeyBSAHNQHZUKPYEM-GFCCVEGCSA-N
XLogP2.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-bromophenyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1040479
(3R)-N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39341475
N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42655979
(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855
1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 42655612
N-(2-chlorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3122127
(3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39352253
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
(3R)-N-(2-bromophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7323830
(3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40977882
(3S)-N-(2-bromophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7449865
diethyl-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium
CID 7421023

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 39342065) is (3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccccc1Br.
What is the InChIKey of (3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BSAHNQHZUKPYEM-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17BrFN3O3/c20-15-3-1-2-4-16(15)23-17(25)10-22-19(27)12-9-18(26)24(11-12)14-7-5-13(21)6-8-14/h1-8,12H,9-11H2,(H,22,27)(H,23,25)/t12-/m1/s1.
What are the key properties of (3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 434.27 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 39342065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).