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

C18H17BrN2O3 — CID 1101181

IUPAC(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1
InChIInChI=1S/C18H17BrN2O3/c1-24-16-4-2-3-14(10-16)20-18(23)12-9-17(22)21(11-12)15-7-5-13(19)6-8-15/h2-8,10,12H,9,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyAKYNFYGEESIORZ-LBPRGKRZSA-N
MW389.25 g/mol
LogP3.45
Rot. Bonds4

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

(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 1101181) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is (3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID1101181
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1
InChIInChI=1S/C18H17BrN2O3/c1-24-16-4-2-3-14(10-16)20-18(23)12-9-17(22)21(11-12)15-7-5-13(19)6-8-15/h2-8,10,12H,9,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyAKYNFYGEESIORZ-LBPRGKRZSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
(3S)-1-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393016
N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569025
3-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 95180907
1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160156
1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46432230
N-[3-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785662
(3R)-1-(4-bromophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1109938
(3R)-1-(4-bromophenyl)-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102934
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3R)-1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109940
2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351791

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 1101181) is (3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1.
What is the InChIKey of (3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AKYNFYGEESIORZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-24-16-4-2-3-14(10-16)20-18(23)12-9-17(22)21(11-12)15-7-5-13(19)6-8-15/h2-8,10,12H,9,11H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of (3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 389.25 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1101181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).