(3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H19BrN2O2 — CID 9056479

IUPAC(3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O
InChIInChI=1S/C19H19BrN2O2/c1-12-4-3-5-13(2)18(12)22-11-14(10-17(22)23)19(24)21-16-8-6-15(20)7-9-16/h3-9,14H,10-11H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyNWTYCUNAKSTKRJ-AWEZNQCLSA-N
MW387.28 g/mol
LogP4.06
Rot. Bonds3

About (3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9056479) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is (3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9056479
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name(3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O
InChIInChI=1S/C19H19BrN2O2/c1-12-4-3-5-13(2)18(12)22-11-14(10-17(22)23)19(24)21-16-8-6-15(20)7-9-16/h3-9,14H,10-11H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyNWTYCUNAKSTKRJ-AWEZNQCLSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916545
(3S)-1-(2,6-dimethylphenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523127
(3R)-1-(2,6-dimethylphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523130
N-[4-(diethylamino)phenyl]-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186270
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
(3S)-1-(2,6-dimethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056489
(3R)-1-(2,6-dimethylphenyl)-N-[4-(3-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9056452
1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160156
(3R)-1-(4-bromophenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39348541
N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916553
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
N-(4-bromophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183219

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9056479) is (3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O.
What is the InChIKey of (3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NWTYCUNAKSTKRJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-12-4-3-5-13(2)18(12)22-11-14(10-17(22)23)19(24)21-16-8-6-15(20)7-9-16/h3-9,14H,10-11H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 387.28 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-bromophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9056479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).